Cyclopenta(c)Pyrrole-1-Carboxamide, (2S)-2-Cyclohexyl-N-(Pyrazinylcarbonyl)Glycyl-3-Methyl-L-Valyl-N-((1S)-1-((Cyclopropylamino)Oxoacetyl)Butyl)Octahydro-, (1S,3aR,6aS)- 特拉匹韦（VX-950）

CAS 402957-28-2 MFCD11616089

化学结构图

402957-28-2
SMILES: CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1

化学属性

Mol. FormulaC36H53N7O6
Mol. Weight680
Density1.25
Appearance solid powder
SolubilitySoluble in DMSO.

别名和识别编码

Chemical NameCyclopenta(c)Pyrrole-1-Carboxamide, (2S)-2-Cyclohexyl-N-(Pyrazinylcarbonyl)Glycyl-3-Methyl-L-Valyl-N-((1S)-1-((Cyclopropylamino)Oxoacetyl)Butyl)Octahydro-, (1S,3aR,6aS)-
CAS Number402957-28-2
Synonym (1S,3aR,6aS)-(2S)-2-Cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-methyl-L-valyl-N-[(1S)-1-[2-(cyclopropylamino)-2-oxoacetyl]butyl]octahydrocyclopenta[c]pyrrole-1-carboxamide (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3- VX950; VX950; VX 950; Incivek; Incivo
Chemical Name Translation特拉匹韦（VX-950）
FormulaC36H53N7O6
IUPAC Name(3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
InChIKeyBBAWEDCPNXPBQM-GDEBMMAJSA-N
InChIInChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1
Canonical SMILESO=C([C@@H]1[C@](CCC2)([H])[C@]2([H])CN1C([C@@H](NC([C@H](C3CCCCC3)NC(C4=NC=CN=C4)=O)=O)C(C)(C)C)=O)N[C@@H](CCC)C(C(NC5CC5)=O)=O
MDL NumberMFCD11616089
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分类

  • Aromatics
  • Chiral Reagents
  • Heterocycles
  • Pharmaceuticals
  • Intermediates & Fine Chemicals

产品应用

  • Telaprevir (VX-950), marketed under the brand names Incivek and Incivo, is a pharmaceutical drug for the treatment of hepatitis C co-developed by Vertex Pharmaceuticals and Johnson & Johnson. It is a member of a class of antiviral drugs known as protease inhibitors. Specifically, telaprevir inhibits the hepatitis C viral enzyme NS3.4A serine protease. Telaprevir is only indicated for use against hepatitis C genotype 1 viral infections and has not been proven to have an effect on or being safe when used for other genotypes of the virus. The standard therapy of pegylated interferon and ribavirin is less effective on genotype 1.

相关文献及参考

  • Kieffer, T., et al.: Hepatology, 46, 631 (2007),
  • Zhou, Y., et al.: Antimicrob. Agents Chemother., 52, 110 (2008),
  • Hezode, C., et al.: N. Engl. J. Med., 360, 1839 (2009),

安全信息

GHS Symbol
Signal word Warning
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
Storage condition Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

系列性分类

  1. Medical Research Areas
  2. L01-Proteases (36) ||[cs]: . Proteases
  3. LCZ696 沙库巴曲缬沙坦钠
  4. Serine Protease

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