Category: 1000343-16-7

Structure-Activity Relationship (SAR) Optimization of 6-(Indol-2-yl)pyridine-3-sulfonamides: Identification of Potent, Selective, and Orally Bioavailable Small Molecules Targeting Hepatitis C (HCV) NS4B was written by Zhang, Nanjing;Zhang, Xiaoyan;Zhu, Jin;Turpoff, Anthony;Chen, Guangming;Morrill, Christie;Huang, Song;Lennox, William;Kakarla, Ramesh;Liu, Ronggang;Li, Chunshi;Ren, Hongyu;Almstead, Neil;Venkatraman, Srikanth;Njoroge, F. George;Gu, Zhengxian;Clausen, Valerie;Graci, Jason;Jung, Stephen P.;Zheng, Yingcong;Colacino, Joseph M.;Lahser, Fred;Sheedy, Josephine;Mollin, Anna;Weetall, Marla;Nomeir, Amin;Karp, Gary M.. And the article was included in Journal of Medicinal Chemistry in 2014.Computed Properties of C9H8FN The following contents are mentioned in the article:

Nonracemic (aminosulfonyl)pyridinyl indolecarbonitriles such as I were prepared as inhibitors of the hepatitis C viral protein NS4B for use as antihepatitis C agents. The substitution patterns on the indole rings were modified to limit oxidative metabolism of the indolecarbonitriles and to avoid potential liver damage and cytochrome P₄₅₀ inhibition; the compounds were also optimized to improve their oral bioavailabilities. I was potent against the HCV 1b replicon, with an EC₅₀ value of 2 nM and a selectivity of >5000 with respect to cellular glyceraldehyde-3-phosphate dehydrogenase. I had a favorable pharmacokinetic profile with oral bioavailabilities of 62%, 78%, and 18% in rats, dogs, and monkeys, resp., and favorable tissue distribution properties (liver to plasma exposure ratio in rats of 25). This study involved multiple reactions and reactants, such as 5-Fluoro-6-methyl-1H-indole (cas: 1000343-16-7Computed Properties of C9H8FN).

5-Fluoro-6-methyl-1H-indole (cas: 1000343-16-7) belongs to indole derivatives. Indole could be stereoselectively alkylated with chiral cyclopentyl sulfone reagent. Indole plays a fundamental role for QS in E. coli, being one of the signal molecules responsible for the transcription of a variety of genes (gabT, and tnaB ASTD). Computed Properties of C9H8FN

Referemce:
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

Discovery of 2-(4-sulfonamidophenyl)-indole 3-carboxamides as potent and selective inhibitors with broad hepatitis C virus genotype activity targeting HCV NS4B was written by Zhang, Nanjing;Turpoff, Anthony;Zhang, Xiaoyan;Huang, Song;Liu, Yalei;Almstead, Neil;Njoroge, F. George;Gu, Zhengxian;Graci, Jason;Jung, Stephen P.;Pichardo, John;Colacino, Joseph;Lahser, Fred;Ingravallo, Paul;Weetall, Marla;Nomeir, Amin;Karp, Gary M.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2016.Recommanded Product: 5-Fluoro-6-methyl-1H-indole The following contents are mentioned in the article:

A novel series of 2-(4-sulfonamidophenyl)-indole 3-carboxamides was identified and optimized for activity against the HCV genotype 1b replicon resulting in compounds with potent and selective activity. Further evaluation of this series demonstrated potent activity across HCV genotypes 1a, 2a and 3a. Compound I had reduced activity against HCV genotype 1b replicons containing single mutations in the NS4B coding sequence (F98C and V105M) indicating that NS4B is the target. This novel series of 2-(4-sulfonamidophenyl)-indole 3-carboxamides serves as a promising starting point for a pan-genotype HCV discovery program. This study involved multiple reactions and reactants, such as 5-Fluoro-6-methyl-1H-indole (cas: 1000343-16-7Recommanded Product: 5-Fluoro-6-methyl-1H-indole).

5-Fluoro-6-methyl-1H-indole (cas: 1000343-16-7) belongs to indole derivatives. Indole is an important structural motif of various drugs, therapeutic leads besides its prevalence in numerous natural products, agrochemicals, perfumery, and dyes. They are capable of binding to a variety of receptors with high affinity and thus have applications in a wide range of therapeutic areas.Recommanded Product: 5-Fluoro-6-methyl-1H-indole

Referemce:
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

Discovery of a Novel and Selective Indoleamine 2,3-Dioxygenase (IDO-1) Inhibitor 3-(5-Fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione (EOS200271/PF-06840003) and Its Characterization as a Potential Clinical Candidate was written by Crosignani, Stefano;Bingham, Patrick;Bottemanne, Pauline;Cannelle, Helene;Cauwenberghs, Sandra;Cordonnier, Marie;Dalvie, Deepak;Deroose, Frederik;Feng, Jun Li;Gomes, Bruno;Greasley, Samantha;Kaiser, Stephen E.;Kraus, Manfred;Negrerie, Michel;Maegley, Karen;Miller, Nichol;Murray, Brion W.;Schneider, Manfred;Soloweij, James;Stewart, Albert E.;Tumang, Joseph;Torti, Vince R.;Van Den Eynde, Benoit;Wythes, Martin. And the article was included in Journal of Medicinal Chemistry in 2017.SDS of cas: 1000343-16-7 The following contents are mentioned in the article:

Tumors use tryptophan-catabolizing enzymes such as indoleamine 2,3-dioxygenase (IDO-1) to induce an immunosuppressive environment. IDO-1 is induced in response to inflammatory stimuli and promotes immune tolerance through effector T-cell anergy and enhanced Treg function. As such, IDO-1 is a nexus for the induction of a key immunosuppressive mechanism and represents an important immunotherapeutic target in oncol. Starting from HTS hit I, IDO-1 inhibitor II has been developed. The structure-activity relationship around II is described and rationalized using the x-ray crystal structure of II bound to human IDO-1, which shows that II, differently from most of the IDO-1 inhibitors described so far, does not bind to the heme iron atom and has a novel binding mode. Clin. candidate II shows good potency in an IDO-1 human whole blood assay and also shows a very favorable ADME profile leading to favorable predicted human pharmacokinetic properties, including a predicted half-life of 16-19 h. This study involved multiple reactions and reactants, such as 5-Fluoro-6-methyl-1H-indole (cas: 1000343-16-7SDS of cas: 1000343-16-7).

5-Fluoro-6-methyl-1H-indole (cas: 1000343-16-7) belongs to indole derivatives. The indole subunit is an almost ubiquitous component of biologically active natural products, and its study has been the focus of research for decades. Indole plays a fundamental role for QS in E. coli, being one of the signal molecules responsible for the transcription of a variety of genes (gabT, and tnaB ASTD). SDS of cas: 1000343-16-7

Referemce:
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