Asunaprevir | CAS No. 630420-16-5

Asunaprevir

Basic Information

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CAS Number

630420-16-5

Molecular Formula

C35H46ClN5O9S

Molecular Weight

748.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.37

SMILES

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COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)c5cc(Cl)ccc15

InChI

InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1

InChIKey

XRWSZZJLZRKHHD-WVWIJVSJSA-N

LogP

3.8538000000000032

Topological Polar Surface Area

182.32999999999998 Å²

Hydrogen Bond Donor/Acceptor

3 / 14

Complexity

1470

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BMS-650032
Asunaprevir
BMS 650032
tert-butyl N-[(2S)-1-[(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yl)oxy-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbam
CHEM
tert-butyl ((S)-1-((2S,4R)-4-((7-chloro-4-methoxyisoquinolin-1-yl)oxy)-2-(((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)carbamate
tert-butyl (S)-1-((2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-2-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropylcarbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
(1R,2S)-N-[(1,1-Dimethylethoxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxy-1-isoquinolinyl)oxy]-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenylcyclopropanecarboxamide
S9X0KRJ00S
N-(Tert-Butoxycarbonyl)-3-Methyl-L-Valyl-(4r)-4-[(7-Chloro-4-Methoxyisoquinolin-1-Yl)oxy]-N-{(1r,2s)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-Ethenylcyclopropyl}-L-Prolinamide
Asunaprevir [USAN:INN]
Sunvepra (TN)
tert-butyl N-[(1S)-1-[(2S,4R)-4-[(7-chloro-4-methoxy-1-isoquinolyl)oxy]-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]ca

MDL Number

MFCD27987900

FAQ

What is Asunaprevir (CAS: 630420-16-5)?

Asunaprevir (CAS: 630420-16-5) is an HCV NS3/4A protease inhibitor used in the treatment of chronic hepatitis C. It is a白色结晶性粉末，熔点约为178°C，具有良好的水溶性和生物利用度。

What are the main uses of Asunaprevir (CAS: 630420-16-5)?

Asunaprevir (CAS: 630420-16-5) is primarily used in the treatment of chronic hepatitis C, specifically in combination with other antiviral drugs to achieve better therapeutic outcomes. It is also used in clinical trials for evaluating its efficacy in various hepatitis C genotypes.

Is Asunaprevir (CAS: 630420-16-5) safe?

Asunaprevir (CAS: 630420-16-5) is generally considered safe when used as directed under medical supervision. However, it can cause side effects such as rash, headache, and elevated liver enzymes. Users should follow safety guidelines and consult healthcare professionals for proper use and monitoring.

How should Asunaprevir (CAS: 630420-16-5) be stored?

Asunaprevir (CAS: 630420-16-5) should be stored at 15-30°C (59-86°F) in a tightly closed container, protected from light and moisture. It should be kept away from children and out of reach of pets to ensure safety and efficacy. It should not be stored in humid or excessively hot environments to prevent degradation.