产品名称

英文名称：MK-5172

同义词

Grazoprevir、1350514-68-9、MK5172、Grazoprevir [INN]、MK-5172 ANHYDROUS、Grazoprevir anhydrous、MK 5172、Grazoprevir monohydrate、MK-5172 MONOHYDRATE、8YE81R1X1J、(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7

产品性质

CAS编号：1350514-68-9

分子式：C38H50N6O9S

分子量：766.9

PubChem编号：44603531

英文别名：Grazoprevir|1350514-68-9|MK5172|Grazoprevir [INN]|MK-5172 ANHYDROUS|Grazoprevir anhydrous|MK 5172|Grazoprevir monohydrate|MK-5172 MONOHYDRATE|8YE81R1X1J|(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7

规格或纯度：98%

英文名称：MK-5172

生化机理：in vitro In biochemical assays, MK-5172 was effective against a panel of major genotypes and variants engineered with common resistant mutations observed in clinical studies with other NS3/4a protease inhibitors. In the replicon assay, MK-5172 demonstrated subnanomolar to low-nanomolar EC50s against genotypes 1a, 1b, and 2a . in vivo In rats, MK-5172 showed a plasma clearance of 28 ml/min/kg and plasma half-life of 1.4 hr. When dosed p.o. at 5 mg/kg, the plasma exposure of MK-5172 was good with an AUC of 0.7 uM.hr. The liver exposure of the compound was quite good (23 uM at 4 hr), and MK-5172 remained in liver 24 hr after a single p.o. 5 mg/kg dose. At 24 hr, the liver concentration of MK-5172 was 0.2 uM, which was over 25-fold higher than the IC50 in the replicon assay with 50% NHS. When dosed to dogs, MK-5172 showed low clearance of 5 ml/min/kg and a 3 hr half-life after i.v. 2 mg/kg dosing and had good plasma exposure (AUC=0.4 uM.hr) after a p.o. 1 mg/kg dose.

储存温度：-20°C储存

运输条件：超低温冰袋运输

产品介绍：MK-5172是HCV NS3/4a蛋白酶抑制剂，对1b和1a亚型的IC50分别为7.4 nM和7 nM。MK-5172 is a novel P2-P4 quinoxaline macrocyclic HCV NS3/4a protease inhibitor currently in clinical development.

ALogP：4.7

PubChem SID：488201016

PubChem SID url：https//pubchem.ncbi.nlm.nih.gov/substance/488201016

IUPAC Name：(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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-carboxamide

INCHI：InChI=1S/C38H50N6O9S/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,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1

InChi Key：OBMNJSNZOWALQB-NCQNOWPTSA-N

Canonical SMILES：CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCCC7CC7OC(=O)N1

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)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1

PubChem CID：44603531

CAS Registry No.：1350514-68-9

ChEMBL Ligand：CHEMBL2063090

BindingDB Ligand：50485492

DrugBank Ligand：DB11575

RCSB PDB Ligand：SUE

溶解性：25°C DMSO

产品包装