产品名称

英文名称：Simeprevir

同义词

AS-56205、GTPL7367、CHEBI134743、(2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[、西米普韦

产品性质

CAS编号：923604-59-5

分子式：C38H47N5O7S2

分子量：749.96

PubChem编号：24873435

别名：西米普韦

英文别名：AS-56205|GTPL7367|CHEBI134743|(2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[

规格或纯度：98%

英文名称：Simeprevir

生化机理：TMC-435350 (TMC 435350; TMC 435; TMC-435350) is an inhibitor of NS3/4A protease, which plays an important role in HCV replication. Data from phase I and II clinical trials of TMC-435350 (TMC 435350; TMC 435; TMC-435350) to date have shown that this agent is well tolerated as a once-daily oral therapy and provides potent antiviral activity in HCV genotype 1-infected subjects, with restoration of liver enzymes and no evidence of viral breakthroμgh.

储存温度：-20°C储存

运输条件：超低温冰袋运输

产品介绍：产品介绍Simeprevir (TMC435) 是一种口服有效的 HCV NS3/4A蛋白酶抑制剂。

IUPAC Name：(1R,4R,6S,7Z,15R,17R)-N-cyclopropylsulfonyl-17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

INCHI：InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1

InChi Key：JTZZSQYMACOLNN-VDWJNHBNSA-N

Canonical SMILES：CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC

Isomeric SMILES：CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC

PubChem CID：24873435

Wikipedia：Simeprevir

CAS Registry No.：923604-59-5

DrugBank Ligand：DB06290

ChEMBL Ligand：CHEMBL501849

RCSB PDB Ligand：30B

DrugCentral Ligand：4812

溶解性：Soluble in DMSO and Ethanol, insoluble in water

象形图：

信号词：Warning

危险声明：H319 Causes serious eye irritationH302 Harmful if swallowedH410 Very toxic to aquatic life with long lasting effectsH362 May cause harm to breast-fed children

预防措施声明：P305+P351+P338,P273,P280,P501,P264,P260,P270,P391,P330,P263,P203,P264+P265,P301+P317,P318,P337+P317

产品包装