(2R,6S,13As,14Ar,16As,Z)-N-(Cyclopropylsulfonyl)-6-(5-Methylpyrazine-2-Carboxamido)-5,16-Dioxo-2-(Phenanthridin-6-Yloxy)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-Tetradecahydrocyclopropa[E]Pyrrolo[1,2-A][1,4]Diazacyclopentadecine-14A(5H)-Carboxamide (2R,6S,13aS,14aR,16aS,Z)-N-(环丙基磺酰基)-6-(5-甲基吡嗪-2-甲酰胺)-5,16-二氧代-2-(菲啶-6-基氧基)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-十四氢环丙并[e]吡咯并[1,2-a][1,4]二氮杂环十五烷-14a(5H)-甲酰胺
CAS 1216941-48-8 MFCD316941488
化学结构图
SMILES: Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1
化学属性
| Mol. Weight | 765.88 |
|---|---|
| Appearance | White to off-white powder |
| Solubility | Soluble in DMSO. |
别名和识别编码
| Chemical Name | (2R,6S,13As,14Ar,16As,Z)-N-(Cyclopropylsulfonyl)-6-(5-Methylpyrazine-2-Carboxamido)-5,16-Dioxo-2-(Phenanthridin-6-Yloxy)-1,2,3,6,7,8,9,10,11,13A,14,15,16,16A-Tetradecahydrocyclopropa[E]Pyrrolo[1,2-A][1,4]Diazacyclopentadecine-14A(5H)-Carboxamide |
|---|---|
| Formula | C40H43N7O7S |
| Synonym | ATB450; ABT-450; ABT 450; Paritaprevir; Veruprevir; Brand name: VIEKIRA PAK. |
| IUPAC Name | (2R,6S,13aS,14aR,16aS,Z)-N-(cyclopropylsulfonyl)-6-(5-methylpyrazine-2-carboxamido)-5,16-dioxo-2-(phenanthridin-6-yloxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a-carboxamide |
| InChIKey | UAUIUKWPKRJZJV-QPLHLKROSA-N |
| InChI | InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26-,32+,34+,40-/m1/s1 |
| Canonical SMILES | O=C([C@]([C@]1([H])/C=C\CCCCC[C@@H]2NC(C3=NC=C(C)N=C3)=O)(C1)NC([C@@](C[C@@H](OC4=C5C=CC=CC5=C(C=CC=C6)C6=N4)C7)([H])N7C2=O)=O)NS(=O)(C8CC8)=O |
| Chemical Name Translation | (2R,6S,13aS,14aR,16aS,Z)-N-(环丙基磺酰基)-6-(5-甲基吡嗪-2-甲酰胺)-5,16-二氧代-2-(菲啶-6-基氧基)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-十四氢环丙并[e]吡咯并[1,2-a][1,4]二氮杂环十五烷-14a(5H)-甲酰胺 |
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产品应用
- Paritaprevir, also known as ABT-450 or Veruprevir, is an acylsulfonamide inhibitor of the NS3-4A serine protease manufactured by Abbott Laboratories that shows promising results as a treatment of hepatitis C. When given in combination with ritonavir and ribavirin for 12 weeks, the rate of sustained virologic response at 24 weeks after treatment has been estimated to be 95% for those with hepatitis C virus genotype 1. Resistance to treatment with paritaprevir is uncommon, because it targets the binding site, but has been seen to arise due to mutations at positions 155 and 168 in NS3.
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