产品名称

英文名称：Velpatasvir

同义词

Velpatasvir、1377049-84-7、GS-5816、GS5816、Velpatasvir(GS5816)、KCU0C7RS7Z、GS 5816、methyl ((R)-2-((2S,4S)-2-(5-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochromeno[4',3'6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-

产品性质

CAS编号：1377049-84-7

分子式：C49H54N8O8

分子量：883.019

PubChem编号：67683363

英文别名：Velpatasvir|1377049-84-7|GS-5816|GS5816|Velpatasvir(GS5816)|KCU0C7RS7Z|GS 5816|methyl ((R)-2-((2S,4S)-2-(5-(2-((2S,5S)-1-((methoxycarbonyl)-L-valyl)-5-methylpyrrolidin-2-yl)-1,11-dihydroisochromeno[4',3'6,7]naphtho[1,2-d]imidazol-9-yl)-1H-imidazol-2-yl)-

规格或纯度：97%

英文名称：Velpatasvir

储存温度：-20°C储存,充氩

运输条件：超低温冰袋运输

产品介绍：Velpatasvir (GS-5816) 是二代NS5A抑制剂，抑制丙型肝炎病毒（HCV）的复制。

ALogP：6.2

IUPAC Name：methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

INCHI：InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1

InChi Key：FHCUMDQMBHQXKK-CDIODLITSA-N

Canonical SMILES：CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)C8CC(CN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)COC

Isomeric SMILES：C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)COC

PubChem CID：67683363

CAS Registry No.：1377049-84-7

ChEMBL Ligand：CHEMBL3545062

DrugBank Ligand：DB11613

DrugCentral Ligand：5154

溶解性：≥146.66mg/mL in DMSO (Need ultrasonic and warming); Insoluble in H2O

熔点：>170ºC (dec.)

危险声明：H413 May cause long lasting harmful effects to aquatic life

预防措施声明：P273,P501

产品包装