Simeprevir

Name: Simeprevir
Brand: 2A Biotech
SKU: 2A-9092751

CAS Number923604-59-5

SynonymsSimeprevir; TMC435350; TMC-435350; Olysio; Olysio (TN); TMC435

Molecular FormulaC38H47N5O7S2

Molecular Weight749.94

Purity≥98 (HPLC)%

Density1.4±0.1 g/cm3

Appearancepowder

Cat. No.: 2A-9092751 Purity: ≥98 (HPLC)%

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Quality Control of [ 923604-59-5 ] Purity: ≥98 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number	923604-59-5
Catalog No.	2A-9092751
Chinese Name	司美匹韦
Synonyms	Simeprevir; TMC435350; TMC-435350; Olysio; Olysio (TN); TMC435
Molecular Formula	C38H47N5O7S2
Molecular Weight	749.94
Purity	≥98 (HPLC)
Density	1.4±0.1 g/cm3
Appearance	powder
Storage Condition	2-8°C
Application	Simeprevir is a potent HCV NS3/4A protease inhibitor with an EC50 value of 8 nM for inhibiting HCV replication.
PubChem ID	50128567
MDL Number	MFCD25563225
SMILES	[S](=O)(=O)(NC(=O)[C@]32NC(=O)[C@H]4[C@@H](C[C@@H](C4)Oc5c6c(nc(c5)c7[s]cc(n7)C(C)C)c(c(cc6)OC)C)C(=O)N(CCCC\C=C/[C@@H]3C2)C)C1CC1
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,41,4
InChI Key	JTZZSQYMACOLNN-VDWJNHBNSA-N
NACRES Code	NA.21
MSDS	msds/92751_1_923604_59_5.pdf
Transport Info	Product name: Simeprevir

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