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Product details

名称

Grazoprevir potassium salt

分子类型

小分子

别名

格拉瑞韦钾盐

英文别名

A927503 | 1206524-86-8 | HY-15298A | MK 5172 potassium | MK 5172 potassium salt | MK-5172 potassium salt | potassium;[(1R,2S)-1-[[(1R,18R,20R,24S,27S)-24-tert-butyl-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]no

英文名称

Grazoprevir potassium salt

货号

G648509-5mg

包装规格

5mg

储存温度

2-8°C储存,干燥

运输条件

冰袋运输

产品介绍

Grazoprevir potassium salt (MK-5172 potassium salt) is a selective inhibitor of Hepatitis C virus NS3/4a protease with broad activity across genotypes and resistant variants, with K i s of 0.01 nM (gt1b), 0.01 nM (gt1a), 0.08 nM (gt2a), 0.15 nM (gt2b), 0.90 nM (gt3a), respectively Grazoprevir potassium salt inhibits SARS-CoV-2 3CL pro activity In Vitro In biochemical assays, Grazoprevir (MK-5172) is effective against a panel of major genotypes and variants engineered with common resistant mutations, with K i of 0.01± In Vivo Grazoprevir (MK-5172) demonstrates efficacy in vivo against chronic-HCV-infected chimpanzees . When dosed to dogs, Grazoprevir (MK-5172) shows low clearance of 5 mL/min/kg and a 3 h half-life after iv dosing and has good plasma exposure (AUC=0.4 μM h) after a 1 mg/kg oral dose. Dog liver biopsy studies showed that the liver concentration of Grazoprevir after the 1 mg/kg oral dose is 1.4 μM at the 24 h time point. Similar to its behavior in rats, Grazoprevir demonstrates effective partitioning into liver tissue and maintains high liver concentration, relative to potency, 24 h after oral dosing in dogs. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:Ki: 0.01±

生化机理

Grazoprevir 钾盐（MK-5172 钾盐）是一种丙型肝炎病毒 NS3/4a 蛋白酶的选择性抑制剂，在不同基因型和耐药变体中具有广泛的活性，其 K i s 分别为 0.01 nM（gt1b）、0.01 nM（gt1a）、0.08 nM（gt2a）、0.15 nM（gt2b）、0.01 nM（gt1b）、0.08 nM（gt2a）、0.15 nM（gt2b）、0.01 nM（gt1a）、0.08 nM（gt2a）。

CAS号

1206524-86-8

分子式

C38H49KN6O9S

分子量

804.99 g/mol

PubChem编号

44603530

Isomeric SMILES

CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)[N-]S(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1.[K+]

IIUPAC Name

potassium;[(1R,2S)-1-[[(1R,18R,20R,24S,27S)-24-tert-butyl-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carbonyl]amino]-2-ethenylcyclopropanecarbonyl]-cyclopropylsulfonylazanide

INCHI

1S/C38H50N6O9S.K/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27;/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H3,41,42,43,45,47,48);/q;+1/p-1/t21-,22-,24-,29+,30-,31-,38-;/m1./s1

InChi Key

MVOGOEKATQJYHW-CIAYNJNFSA-M

Smiles

CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)[N-]S(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCCC7CC7OC(=O)N1.[K+]

PubChem CID

44603530

关联CAS

1206524-86-8

溶解性

DMSO : ≥ 100 mg/mL (124.23 mM)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

804.292 Da

单同位素质量Monoisotopic Mass

804.292 Da

拓扑极表面积Topological Polar Surface Area

193.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

1590

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

user reviews

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