Chemistry Milestones Of 98-17-9

Welcome to talk about 98-17-9, If you have any questions, you can contact Laserna, V; Rojas, CJ; Sheppard, TD or send Email.. HPLC of Formula: C7H5F3O

An article Gold-Catalyzed Hydrophenoxylation of Propargylic Alcohols and Amines: Synthesis of Phenyl Enol Ethers WOS:000473116000011 published article about C-C; INTRAMOLECULAR HYDROALKOXYLATION; INTERMOLECULAR HYDROALKOXYLATION; HIGHLY EFFICIENT; ALKYNES; HYDROAMINATION; COMPLEXES; TRANSFORMATION; CYCLOISOMERIZATION; ACETALS in [Laserna, Victor; Rojas, Catherine Jeapes; Sheppard, Tom D.] UCL, Dept Chem, 20 Gordon St, London WC1H 0AJ, England in 2019, Cited 43. HPLC of Formula: C7H5F3O. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

A practical method for the synthesis of phenyl enol ethers is reported. The combination of a gold(I) catalyst and potassium carbonate selectively mediates the addition of phenols to propargylic alcohols/amines in a chemo-, regio-, and stereoselective fashion in high yield. The resulting enol ethers are formed exclusively with a Z-configuration and can be obtained from a wide array of phenols and propargylic alcohols or amines with the reaction showing excellent functional group tolerance.

Welcome to talk about 98-17-9, If you have any questions, you can contact Laserna, V; Rojas, CJ; Sheppard, TD or send Email.. HPLC of Formula: C7H5F3O

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

An overview of features, applications of compound:3-(Trifluoromethyl)phenol

SDS of cas: 98-17-9. Welcome to talk about 98-17-9, If you have any questions, you can contact Manfrin, A; Hanggli, A; van den Wildenberg, J; McNeill, K or send Email.

An article Substituent Effects on the Direct Photolysis of Benzotrifluoride Derivatives WOS:000572834700013 published article about MECHANISTIC ORGANIC-PHOTOCHEMISTRY; TFM; PHARMACEUTICALS; FLUORINE; WATER; PHOTOHYDROLYSIS; ENVIRONMENT; REACTIVITY; DRUGS; ACID in [Manfrin, Alessandro; Haenggli, Aline; van den Wildenberg, Jeroen; McNeill, Kristopher] Swiss Fed Inst Technol, Inst Biogeochem & Pollutant Dynam, CH-8092 Zurich, Switzerland in 2020, Cited 45. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9. SDS of cas: 98-17-9

The chemical class of benzotrifluoride derivatives is widely used in active ingredients of various commercial products, such as pharmaceuticals, pesticides, herbicides, and crop protection agents. Past studies have shown that some benzotrifluorides are not stable under UV irradiation in water and convert into benzoic acids due to C-F bond hydrolysis. It was also observed, but never systematically studied, that the ring substituents play an important role on the direct photochemical reactivity of the CF3 moiety. In the present work, we explore the structure-reactivity relationship between ring substituent and direct photodefluorination for 16 different substituents, by determining fluoride production rates, quantum yields, and half-lives, and found that strong electron-donating groups enhance the reactivity toward hydrolysis. In addition, flufenamic acid, travoprost, dutasteride, cyflumetofen, flutoanil, and teriflunomide were also examined, finding that their direct photochemical reactivity could be qualitatively predicted based on their ring substituents. We provide here a tool to evaluate the environmental persistence of benzotrifluoride contaminants, as well as to design more photodegradable new active ingredients.

SDS of cas: 98-17-9. Welcome to talk about 98-17-9, If you have any questions, you can contact Manfrin, A; Hanggli, A; van den Wildenberg, J; McNeill, K or send Email.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

What about chemistry interests you the most 80-59-1

COA of Formula: C5H8O2. Welcome to talk about 80-59-1, If you have any questions, you can contact Opie, CR; Noda, H; Shibasaki, M; Kumagai, N or send Email.

In 2019 CHEM-EUR J published article about CARBOXYLIC-ACIDS; DIRECT AMIDATION; AMIDE SYNTHESIS; ESTERS; ALPHA; INHIBITORS; CHEMISTRY in [Opie, Christopher R.; Noda, Hidetoshi; Shibasaki, Masakatsu; Kumagai, Naoya] Inst Microbial Chem BIKAKEN, Shinagawa Ku, 3-14-23 Kamiosaki, Tokyo 1410021, Japan in 2019, Cited 63. The Name is (E)-2-Methylbut-2-enoic acid. Through research, I have a further understanding and discovery of 80-59-1. COA of Formula: C5H8O2

The B3NO2 six-membered heterocycle (1,3-dioxa-5-aza-2,4,6-triborinane = DATB), comprising three different non-carbon period 2 elements, has been recently demonstrated to be a powerful catalyst for dehydrative condensation of carboxylic acids and amines. The tedious synthesis of DATB, however, has significantly diminished its utility as a catalyst, and thus the inherent chemical properties of the ring system have remained virtually unexplored. Here, a general and facile synthetic strategy that harnesses a pyrimidine-containing scaffold for the reliable installation of boron atoms is disclosed, giving rise to a series of Pym-DATBs from inexpensive materials in a modular fashion. The identification of a soluble Pym-DATB derivative allowed for the investigation of the dynamic nature of the B3NO2 ring system, revealing differential ring-closing and -opening behaviors depending on the medium. Readily accessible Pym-DATBs proved their utility as efficient catalysts for dehydrative amidation with broad substrate scope and functional-group tolerance, offering a general and practical catalytic alternative to reagent-driven amidation.

COA of Formula: C5H8O2. Welcome to talk about 80-59-1, If you have any questions, you can contact Opie, CR; Noda, H; Shibasaki, M; Kumagai, N or send Email.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Now Is The Time For You To Know The Truth About C8H8O2

Welcome to talk about 123-11-5, If you have any questions, you can contact Sun, YY; Gao, PP; Zhu, L; Li, ZX; Zhao, RY; Li, CY; Shan, LH or send Email.. Recommanded Product: 4-Methoxybenzaldehyde

Recommanded Product: 4-Methoxybenzaldehyde. In 2021.0 STEROIDS published article about ABIRATERONE ACETATE; NECROPTOSIS; PYRIDINES; INHIBITOR; CHEMISTRY; DESIGN in [Sun, Yingying; Gao, Peipei; Li, Zhaoxiang; Zhao, Ruiyun; Shan, Lihong] Zhengzhou Univ, Sch Pharmaceut Sci, Key Lab Adv Drug Preparat Technol, Minist Educ, Zhengzhou 450001, Peoples R China; [Sun, Yingying; Gao, Peipei; Li, Zhaoxiang; Zhao, Ruiyun; Shan, Lihong] Collaborat Innovat Ctr New Drug Res & Safety Eval, Zhengzhou, Henan, Peoples R China; [Zhu, Li] Shanxi Med Univ, Taiyuan Cent Hosp, 5 Dong San Dao Xiang, Taiyuan 030009, Peoples R China; [Li, Congyu] Zhengzhou Univ, Henan Canc Hosp, Affiliated Canc Hosp, Zhengzhou, Peoples R China in 2021.0, Cited 34.0. The Name is 4-Methoxybenzaldehyde. Through research, I have a further understanding and discovery of 123-11-5.

A series of new 17-cyanopyridine derivatives of pregnenolone have been synthesized, and their anti-proliferative activities against different human cancer cell lines were tested. The extensive structure-activity relationship (SAR) data suggested that the introduction of 2-amino-4-aryl-3-cyanopyridine to the D ring of pregnenolone may increase the anti-cancer activity. Among the products, the most potent compound 4j exhibited good growth inhibition against all the tested cells especially for PC- 3 cells with an IC50 value of 2.0 mu M. Further mechanistic studies showed that 4j inhibited the formation of cell colonies and migration, increased the level of reactive oxygen species (ROS) in PC-3 cells in a concentration-dependent manner, and induced necroptosis through the phosphorylation of receptor interacting protein 1/3 (P-RIP1/3) and phosphorylation of mixed lineage kinase domain-like protein (P-MLKL) pathway. The 17-pregnenolone cyanopyridine derivatives hold promising potential as anti-proliferative agents, and the most potent compound could be used as a starting point for the development of new steroidal heterocycles with improved anticancer potency and selectivity.

Welcome to talk about 123-11-5, If you have any questions, you can contact Sun, YY; Gao, PP; Zhu, L; Li, ZX; Zhao, RY; Li, CY; Shan, LH or send Email.. Recommanded Product: 4-Methoxybenzaldehyde

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Never Underestimate The Influence Of C7H8O

Welcome to talk about 100-51-6, If you have any questions, you can contact Gabetti, E; Sgorbini, B; Stilo, F; Bicchi, C; Rubiolo, P; Chialva, F; Reichenbach, SE; Bongiovanni, V; Cordero, C; Cavallero, A or send Email.. SDS of cas: 100-51-6

SDS of cas: 100-51-6. In 2021.0 J CHROMATOGR A published article about FLIGHT MASS-SPECTROMETRY; COLUMN-DUAL DETECTION; GC; VOLATILES; PROFILES; LACTONE in [Gabetti, Elena; Bongiovanni, Valentina; Cavallero, Andrea] Soremartec Italia Srl, Alba, Cuneo, Italy; [Sgorbini, Barbara; Stilo, Federico; Bicchi, Carlo; Rubiolo, Patrizia; Cordero, Chiara] Univ Turin, Dipartimento Sci & Tecnol Farmaco, Via Pietro Giuria 9, I-10125 Turin, Italy; [Chialva, Franco] Azienda Agr Chialva, Turin, Italy; [Reichenbach, Stephen E.] Univ Nebraska, Comp Sci & Engn Dept, Lincoln, NE USA; [Reichenbach, Stephen E.] GC Image LLC, Lincoln, NE USA in 2021.0, Cited 70.0. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6.

Accurate, reliable, and informative mapping of untargeted and targeted components across many samples is here performed by combining off-line GC-Olfactometry (GC-O) and comprehensive two-dimensional gas chromatography (GCxGC) coupled to time-of-flight mass spectrometry with variable ionization energy (TOF MS featuring Tandem Ionization (TM)). In particular, untargeted and targeted (UT) features patterns are processed by chromatographic fingerprinting, giving differential priority to potent odorants’ retention-times regions. Distinguishing peppermint essential oil (EO) from Piedmont (Italy – Mentha x piperita L. var. Italo-Mitcham – Menta di Pancalieri EO), with its unique sensory fingerprint (i.e., freshness and long-lasting sweetness), from high-quality peppermint EOs produced in other areas poses a great challenge. Chromatographic UT fingerprinting provided a great chemical dimensionality by mapping more than 350 peak-regions at 70 eV and 135 at 12 eV. From them, 95 components were identified and responses compared to available literature. Then, potent odorants, detected by GC-O using the aroma extraction dilution analysis (AEDA), were tracked over the chromatographic space and tentatively identified. With the highest flavor dilution (FD), 1,8-cineole (eucalyptus, fresh, camphoraceous); menthone (minty, herbaceous); and menthofuran (minty, musty, petroleum-like) were highlighted. Responsible for creamy and coumarinic notes were the diasteroisomers of (3,6)-dimethyl-4,5,6,7-tetrahydrobenzo[b]-furan-2(3H)-one (i.e., menthofurolactones), detected in higher relative abundance in Pancalieri EOs. By prioritizing the investigation of volatiles on higher LogFD retention regions, including 131 untargeted/targeted features, Pancalieri EOs were separately clustered from United States samples. Besides pre-targeted analytes, additional untargeted features were post-processed for identification within marker chemicals. Myrtenyl methyl ether, ethyl 3-methyl butanoate, propyl-2-methylbutanoate, and (E)-2-hexenal were putatively identified. Of the unknown – knowns with diagnostic roles, all metadata were collected including low energy spectra at 12 eV, which were found to be highly complementary to 70 eV spectra. (C) 2021 Elsevier B.V. All rights reserved.

Welcome to talk about 100-51-6, If you have any questions, you can contact Gabetti, E; Sgorbini, B; Stilo, F; Bicchi, C; Rubiolo, P; Chialva, F; Reichenbach, SE; Bongiovanni, V; Cordero, C; Cavallero, A or send Email.. SDS of cas: 100-51-6

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Search for chemical structures by a sketch :C7H8O

Application In Synthesis of Benzyl Alcohol. Bye, fridends, I hope you can learn more about C7H8O, If you have any questions, you can browse other blog as well. See you lster.

Application In Synthesis of Benzyl Alcohol. Authors Upadhyay, N; Singh, VK; Dwivedy, AK; Chaudhari, AK; Dubey, NK in ELSEVIER published article about in [Upadhyay, Neha; Singh, Vipin Kumar; Dwivedy, Abhishek Kumar; Chaudhari, Anand Kumar; Dubey, Nawal Kishore] Banaras Hindu Univ, Ctr Adv Study CAS Bot, Inst Sci, Lab Herbal Pesticides, Varanasi 221005, Uttar Pradesh, India in 2021.0, Cited 68.0. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6

In this study, a comparative efficacy of Cananga odorata EO (CoEO) and its nanoencapsulated formulation into chitosan nanoemulsion (CoEO-CsNe) against a toxigenic strain of Aspergillus flavus (AF-M-K5) were investigated for the first time in order to determine its efficacy in preservation of stored food from fungal, aflatoxin B1 (AFB1) contamination and lipid peroxidation. GC and GC-MS analysis of CoEO revealed the presence of linalool (24.56%) and benzyl acetate (22.43%) as the major components. CoEO was encapsulated into chitosan nanoemulsion (CsNe) through ionic-gelation technique and characterized by High Resolution-Scanning Electron Microscopy (HR-SEM), Fourier Transform Infrared spectroscopy (FTIR), and X-Ray Diffraction (XRD) analysis. The CoEO-CsNe during in vitro investigation against A. flavus completely inhibited the growth and AFB1 production at 1.0 mu L/mL and 0.75 mu L/mL, respectively. Additionally, CoEO-CsNe showed improved antioxidant activity against DPPH center dot and ABTS(center dot)+ with IC50 value 0.93 and 0.72 mu L/mL, respectively. Further, CoEO-CsNe suppressed fungal growth, AFB1 secretion and lipid peroxidation in Arachis hypogea L. during in situ investigation without causing any adverse effect on seed germination. Overall results demonstrated that the CoEO-CsNe has potential of being utilized as a suitable plant based antifungal agent to improve the shelf-life of stored food against AFB1 and lipid peroxidation mediated biodeterioration. (C) 2021 Elsevier B.V. All rights reserved.

Application In Synthesis of Benzyl Alcohol. Bye, fridends, I hope you can learn more about C7H8O, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Some scientific research about 86-95-3

HPLC of Formula: C9H7NO2. Bye, fridends, I hope you can learn more about C9H7NO2, If you have any questions, you can browse other blog as well. See you lster.

Elbastawesy, MAI; Aly, AA; Ramadan, M; Elshaier, YAMM; Youssif, BGM; Brown, AB; Abuo-Rahma, GEDA in [Elbastawesy, Mohammed A., I; Ramadan, Mohamed] Al Azhar Univ, Fac Pharm, Dept Pharmaceut Organ Chem, Assiut 71524, Egypt; [Aly, Ashraf A.] Menia Univ, Fac Sci, Dept Chem, Al Minya 61519, Egypt; [Elshaier, Yaseen A. M. M.] Univ Sadat City, Fac Pharm, Dept Organ & Med Chem, Menoufia 32958, Egypt; [Youssif, Bahaa G. M.] Assiut Univ, Fac Pharm, Dept Pharmaceut Organ Chem, Assiut 71526, Egypt; [Brown, Alan B.] Florida Inst Technol, Program Chem, Melbourne, FL 32901 USA; [Abuo-Rahma, Gamal El-Din A.] Menia Univ, Fac Pharm, Dept Med Chem, Al Minya 61519, Egypt published Novel Pyrazoloquinolin-2-ones: Design, synthesis, docking studies, and biological evaluation as antiproliferative EGFR-TK inhibitors in 2019, Cited 50. HPLC of Formula: C9H7NO2. The Name is 4-Hydroxyquinolin-2(1H)-one. Through research, I have a further understanding and discovery of 86-95-3.

Two new series of diethyl 2-[2-(substituted-2-oxo-1,2-dihydroquinolin-4-yl)hydrazono]-succinates 6a-g and 1-(2-oxo-1,2-dihydroquinolin-4-yl)-1H-pyrazoles 7a-f have been designed and synthesized. The structures of the synthesized compounds were proved by IR, mass, NMR (2D) spectra and elemental analyses. The target compounds were evaluated for their in vitro cytotoxic activity against 60 cancer cell lines according to NCI protocol. Consequently, seven compounds were further examined against the most sensitive cell lines, leukemia CCRFCEM, and MOLT-4. 5-Amino-1-(6-bromo-2-oxo-1,2-dihydroquinolin-4-yl)-1H-pyrazole-3,4-dicarbonitrile (7f) was the most active product, with IC50= 1.35 uM and 2.42 uM against MOLT-4 and CCRF-CEM, respectively. Also, it showed a remarkable inhibitory activity compared to erlotinib on the EGFR TK with IC50 = 247.14 nM and 208.42 nM, respectively. Cell cycle analysis of MOLT-4 cells treated with 7f showed cell cycle arrest at G2/M phase (supported by Caspases, BAX and Bcl-2 studies) with a significant pro-apoptotic activity as indicated by annexin V-FITC staining. Moreover, the docking study indicated that both the pyrazole moiety and the quinolin-2-one ring showed good fitting into EGFR (PDB code: 1M17). In order to interpret SAR of the designed compounds, and provide a basis for further optimization, molecular docking of the synthesized compounds to known EGFR inhibitors was performed. The study illustrated the effect of several factors on the compounds’ activity.

HPLC of Formula: C9H7NO2. Bye, fridends, I hope you can learn more about C9H7NO2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

What I Wish Everyone Knew About 99-93-4

About 4′-Hydroxyacetophenone, If you have any questions, you can contact Verma, P; Mishra, A; Chauhan, S; Singh, S; Srivastava, V or concate me.. SDS of cas: 99-93-4

I found the field of Chemistry very interesting. Saw the article DABCO Catalyzed Synthesis of beta-Hydroxy Ketones Derived from alpha-Methyl Ketones and Ninhydrin under Microwave Irradiations published in 2019.0. SDS of cas: 99-93-4, Reprint Addresses Srivastava, V (corresponding author), Banaras Hindu Univ, Dept Chem, Indian Inst Technol, Varanasi 221005, Uttar Pradesh, India.. The CAS is 99-93-4. Through research, I have a further understanding and discovery of 4′-Hydroxyacetophenone

Microwave induced an efficient, green and rapid protocol for the synthesis of 2-substituted-2-hydroxyindan-1,3-dione derivatives from the reaction of ninhydrin and ketone by using inexpensive 1,4-diazabicyclo[2.2.2]octane (DABCO) organocatalyst in water has been developed. Mild reaction conditions, shorter reaction time, metal-free approach, water as a green solvent, scalability and broad substrate scope are the salient features of this protocol.

About 4′-Hydroxyacetophenone, If you have any questions, you can contact Verma, P; Mishra, A; Chauhan, S; Singh, S; Srivastava, V or concate me.. SDS of cas: 99-93-4

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Why do aromatic interactions matter of compound:99-93-4

SDS of cas: 99-93-4. Bye, fridends, I hope you can learn more about C8H8O2, If you have any questions, you can browse other blog as well. See you lster.

An article A new method for the synthesis of chalcone derivatives promoted by PPh3/I(2)under non-alkaline conditions WOS:000590637100001 published article about SOLVENT-FREE CONDITIONS; EFFICIENT SYNTHESIS; HETEROGENEOUS CATALYST; BIOLOGICAL EVALUATION; ALDOL CONDENSATIONS; DESIGN; AGENTS; FLAVONOIDS; INHIBITORS; AMIDATION in [Xue, Kangsheng] Changchun Univ Chinese Med, Coll Pharm, Changchun, Peoples R China; [Sun, Guoxiang] Yancheng Inst Technol, Sch Chem & Chem Engn, Yancheng, Jiangsu, Peoples R China; [Zhang, Yanzhi; Chen, Xubing] Dali Univ, Coll Pharm, Dali, Peoples R China; [Zhou, Yang; Hou, Jinjun; Long, Huali; Zhang, Zijia; Lei, Min; Wu, Wanying] Chinese Acad Sci, Shanghai Res Ctr Modernizat Tradit Chinese Med, Shanghai Inst Mat Med, Natl Engn Lab TCM Standardizat Technol, Shanghai, Peoples R China; [Zhou, Yang; Hou, Jinjun; Long, Huali; Zhang, Zijia; Lei, Min; Wu, Wanying] Univ Chinese Acad Sci, Beijing, Peoples R China in 2021, Cited 61. The Name is 4′-Hydroxyacetophenone. Through research, I have a further understanding and discovery of 99-93-4. SDS of cas: 99-93-4

A straightforward and general method has been developed for the synthesis of chalcone derivatives by a Claisen-Schmidt reaction in the presence of PPh3/I-2 in 1,4-dioxane under reflux temperatures. With the condensation of the aromatic ketone and aldehyde occurring at non-strongly alkaline conditions, our proposed method significantly expands the range of applicable substrates, especially for groups that are unstable under alkaline conditions.

SDS of cas: 99-93-4. Bye, fridends, I hope you can learn more about C8H8O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles

Chemical Properties and Facts of 98-17-9

Welcome to talk about 98-17-9, If you have any questions, you can contact Taira, J; Umei, T; Inoue, K; Kitamura, M; Berenger, F; Sacchettini, JC; Sakamoto, H; Aoki, S or send Email.. HPLC of Formula: C7H5F3O

Authors Taira, J; Umei, T; Inoue, K; Kitamura, M; Berenger, F; Sacchettini, JC; Sakamoto, H; Aoki, S in NATURE PUBLISHING GROUP published article about GENETIC ALGORITHM; IDENTIFICATION; TUBERCULOSIS; TARGET in [Taira, Junichi; Umei, Tomohiro; Inoue, Keitaro; Berenger, Francois; Sakamoto, Hiroshi; Aoki, Shunsuke] Kyushu Inst Technol, Grad Sch Comp Sci & Syst Engn, Dept Biosci & Bioinformat, Iizuka, Fukuoka 8208502, Japan; [Kitamura, Mitsuru] Kyushu Inst Technol, Dept Appl Chem, 1-1 Sensui Cho, Kitakyushu, Fukuoka 8048550, Japan; [Sacchettini, James C.] Texas A&M Univ, Dept Biochem & Biophys, College Stn, TX 77843 USA in , Cited 31. HPLC of Formula: C7H5F3O. The Name is 3-(Trifluoromethyl)phenol. Through research, I have a further understanding and discovery of 98-17-9

InhA or enoyl-acyl carrier protein reductase of Mycobacterium tuberculosis (mtInhA), which controls mycobacterial cell wall construction, has been targeted in the development of antituberculosis drugs. Previously, our in silico structure-based drug screening study identified a novel class of compounds (designated KES4), which is capable of inhibiting the enzymatic activity of mtInhA, as well as mycobacterial growth. The compounds are composed of four ring structures (A-D), and the MD simulation predicted specific interactions with mtInhA of the D-ring and methylene group between the B-ring and C-ring; however, there is still room for improvement in the A-ring structure. In this study, a structure-activity relationship study of the A-ring was attempted with the assistance of in silico docking simulations. In brief, the virtual chemical library of A-ring-modified KES4 was constructed and subjected to in silico docking simulation against mtInhA using the GOLD program. Among the selected candidates, we achieved synthesis of seven compounds, and the bioactivities (effects on InhA activity and mycobacterial growth and cytotoxicity) of the synthesized molecules were evaluated. Among the compounds tested, two candidates (compounds 3d and 3f) exhibited superior properties as mtInhA-targeted anti-infectives for mycobacteria than the lead compound KES4.

Welcome to talk about 98-17-9, If you have any questions, you can contact Taira, J; Umei, T; Inoue, K; Kitamura, M; Berenger, F; Sacchettini, JC; Sakamoto, H; Aoki, S or send Email.. HPLC of Formula: C7H5F3O

Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles