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
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. Formula | C36H53N7O6 |
|---|---|
| Mol. Weight | 680 |
| Density | 1.25 |
| Appearance | solid powder |
| Solubility | Soluble in DMSO. |
别名和识别编码
| Chemical Name | 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)- |
|---|---|
| CAS Number | 402957-28-2 |
| 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） |
| Formula | C36H53N7O6 |
| 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 |
| InChIKey | BBAWEDCPNXPBQM-GDEBMMAJSA-N |
| InChI | InChI=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 SMILES | O=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 Number | MFCD11616089 |
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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
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- 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
