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telaprevir
| 别名 | VX-950 |
|---|---|
| Compound Class | Synthetic organic |
| 变动原因 |
Inhibits the hepatitis C viral enzyme NS3.4A serine protease but also has a recent repurposing claim for cathepsin A inhibition |
| Related Product | 特拉匹韦 |
Summary
| 是否批准为药物？ | |
|---|---|
| IUPAC Name | (1S,3aR,6aS)-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-1-carboxamide |
| 别名 | VX-950 |
数据库链接
| PubChem CID | 3010818 |
|---|---|
| ChEMBL Ligand | CHEMBL231813 |
| ChEBI | CHEBI:68595 |
| DrugBank Ligand | DB05521 |
| Wikipedia | Telaprevir |
| CAS Registry No. | 402957-28-2 |
| DrugCentral Ligand | 4173 |
生物活性
| 生物活性评价 |
The sulfonamide class of antibacterial compounds are primarily bacteriostatic agents and have a broad spectrum of activity against both Gram-positive and Gram-negative species of bacteria (reviewed in |
|---|---|
| 关联靶标 | Cathepsin A , chymotrypsin like elastase 1 , CoV 3C-like (main) protease |
临床资料
| 作用机制与药效学效应 |
Sulfonamides are structural analogues of 4-aminobenzoic acid (pABA) an intermediate in the de novo synthesis of folate by some prokaryotes, lower eukaryotes and plants |
|---|
参考文献
| 1. Ruf S et al. (2013) Use of telaprevir and related compounds in atherosclerosis, heart failure, renal diseases, liver diseases or inflammatory diseases.. Drugs, 71 (13): (1755-70). [PMID:21902297] |
结构
| Canonical SMILES | CCCC(C(=O)C(=O)NC1CC1)NC(=O)C1C2CCCC2CN1C(=O)C(C(C)(C)C)NC(=O)C(C1CCCCC1)NC(=O)c1nccnc1 |
|---|---|
| Isomeric SMILES | CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C1CCCCC1)NC(=O)c1nccnc1 |
| 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 |
| InChI key | BBAWEDCPNXPBQM-GDEBMMAJSA-N |
危险品化学品经营许可证（带存储）