Deleobuvir

• CAS: 863884-77-9
• Catalog Number: ACM863884779
• Category: Inhibitors
• Molecular Weight: 653.58
• Molecular Formula: C34H33BrN6O3
• Description: Deleobuvir, also known as BI207127, a non-nucleoside hepatitis C virus NS5B polymerase inhibitor for the treatment of hepatitis C. Deleobuvir was tested in combination regimens with pegylated interferon and ribavirin, and in interferon-free regimens with other direct-acting antiviral agents including faldaprevir. Deleobuvir showed that a triple combination of deleobuvir, faldaprevir, and ribavirin performed well in HCV genotype 1b patients. Efficacy fell below 50%, however, for dual regimens without ribavirin and for genotype 1a patients. In December 2013, deleobuvir was discontinued since recent findings from phase III trials did not suggest sufficient efficacy.
• Synonyms: BI207127; BI-207127; BI 207127; Deleobuvir; BI-207127NA; BI-207127Na
• IUPAC Name: (E)-3-(2-(1-(2-(5-bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carboxamido)cyclobutyl)-1-methyl-1H-benzo[d]imidazol-6-yl)acrylic acid
• Canonical SMILES: O=C(O)/C=C/C1=CC=C2N=C(C3(NC(C4=CC5=C(C=C4)C(C6CCCC6)=C(C7=NC=C(Br)C=N7)N5C)=O)CCC3)N(C)C2=C1
• InChI: InChI=1S/C34H33BrN6O3/c1-40-26-17-22(10-11-24(26)29(21-6-3-4-7-21)30(40)31-36-18-23(35)19-37-31)32(44)39-34(14-5-15-34)33-38-25-12-8-20(9-13-28(42)43)16-27(25)41(33)2/h8-13,16-19,21H,3-7,14-15H2,1-2H3,(H,39,44)(H,42,43)/b13-9+
• InChI Key: BMAIGAHXAJEULY-UKTHLTGXSA-N
• Solubility: Soluble in DMSO, not in water
• Appearance: Solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Alternative CAS: 1370023-80-5 (sodium); 863884-77-9 (free base)
• Biological Target: Deleobuvir (BI 207127) is a potent non-nucleoside hepatitis C virus (HCV) NS5B polymerase inhibitor.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 62.48; H, 5.09; Br, 12.23; N, 12.86; O, 7.34
• Exact Mass: 652.1798
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: TBD
• In Vivo Activity: TBD
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).