CAS 923604-59-5

Simeprevir

Description:

Simeprevir is an antiviral medication primarily used in the treatment of chronic hepatitis C virus (HCV) infection. It belongs to the class of drugs known as protease inhibitors, specifically targeting the NS3/4A protease enzyme, which is crucial for viral replication. The chemical formula of Simeprevir is C38H47N3O4S, and it has a molecular weight of approximately 661.93 g/mol. This compound is characterized by its complex structure, which includes a sulfonamide group and a bicyclic core. Simeprevir is typically administered in combination with other antiviral agents to enhance its efficacy and reduce the risk of resistance. It is taken orally and is known for its relatively favorable safety profile, although it can cause side effects such as fatigue, headache, and skin rashes. As with any medication, it is essential to use Simeprevir under the guidance of a healthcare professional, considering potential drug interactions and contraindications.

Formula: C₃₈H₄₇N₅O₇S₂

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: InChIKey=JTZZSQYMACOLNN-VDWJNHBNSA-N

SMILES: C(NS(=O)(=O)C1CC1)(=O)[C@]23[C@@](C2)(/C=C\CCCCN(C)C(=O)[C@]4([C@](C(=O)N3)(C[C@@H](OC=5C6=C(N=C(C5)C7=NC(C(C)C)=CS7)C(C)=C(OC)C=C6)C4)[H])[H])[H]

Synonyms:

• (2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide
• Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, N-(cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxo-, (2R,3aR,10Z,11aS,12aR,14aR)-
• Merospevir
• Olysio
• Simeprevir
• Sovriad
• Tmc 435
• TMC 435350
• TMC 435350

Simeprevir

CAS: 923604-59-5

Simeprevir

Purity: ≥98%

Molecular weight: 749.94g/mol

Ref: 54-BUP05983

Simeprevir

CAS: 923604-59-5

Formula: C₃₈H₄₇N₅O₇S₂

Color and Shape: Off-White Solid

Molecular weight: 749.94

Ref: 4Z-S-103001

Simeprevir

CAS: 923604-59-5

Simeprevir (TMC435) is a potent HCV NS3/4A protease inhibitor, and inhibits HCV replication with EC50 of 8 nM.

Formula: C₃₈H₄₇N₅O₇S₂

Purity: 99.45% - 99.92%

Color and Shape: Solid

Molecular weight: 749.94

Ref: TM-T4686

Simeprevir-13C-d3

CAS: 923604-59-5

Formula: C₃₇₁₃CH₄₄D₃N₅O₇S₂

Molecular weight: 753.95

Ref: 4Z-S-103002

Simeprevir

CAS: 923604-59-5

Formula: C₃₈H₄₇N₅O₇S₂

Purity: ≥ 99.0%

Color and Shape: White powder

Molecular weight: 749.93

Ref: 7W-GP3135

Simeprevir

CAS: 923604-59-5

Anti-viral; NS3/4A protease inhibitor_x000D_

Formula: C₃₈H₄₇N₅O₇S₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 749.94 g/mol

Ref: 3D-FS65167

Simeprevir

Controlled Product

CAS: 923604-59-5

Applications Simeprevir, is a hepatitis C virus (NS3/4A) protease inhibitor, used for the cure and treatment of hepatitis C.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Lin, T., et al.: Antimicrobial Agents and chemotherapy, 53 (4), 1377 (2009); J. Hepatology, 55 (2), 1377 (2011);

Formula: C₃₈H₄₇N₅O₇S₂

Color and Shape: Neat

Molecular weight: 749.94

Ref: TR-S466500