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Asunaprevir - ≥98%, high purity , Hepatitis C virus serine protease, NS3/NS4A inhibitor, CAS No.630420-16-5, Hepatitis C virus serine protease, NS3/NS4A inhibitor

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 630420-16-5
Molecular Weight: 748.29
PubChem CID: 16076883
PubChem SID: 504768030

In stock

Item Number

A126103

Grouped product items
SKU	Size	Availability	Price
A126103-5mg	5mg	3	$137.90
A126103-10mg	10mg	2	$226.90
A126103-25mg	25mg	3	$510.90
A126103-50mg	50mg	2	$795.90
A126103-100mg	100mg	2	$1,432.90
A126103-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,223.90

View related series

Amino Acid/Protein Metabolism (1836) Anti-infection (2803) HCV (160) HCV Protease (26) Metabolic Enzyme/Protease (4860) SARS-CoV (200) Virus (1811)

Basic Description

Synonyms	BMS650032 \| HY-14434 \| D10093 \| 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 \| compound 24 [PMID: 24564672] \| UNII-S9X0KRJ00S \|
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Asunaprevir is an inhibitor of the viral enzyme serine protease HCV NS3.
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Hepatitis C virus serine protease, NS3/NS4A inhibitor
Product Description	Asunaprevir (BMS-650032) is a potent hepatitis C virus (HCV) NS3 protease inhibitor. An inhibitor of the viral enzyme serine protease HCV NS3.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Oligopeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Oligopeptides
Alternative Parents	Valine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Isoquinolines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Benzenoids Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Aminosulfonyl compounds Organosulfonic acids and derivatives Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Organic carbonic acids and derivatives Azacyclic compounds Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-oligopeptide - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Isoquinoline - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Alkyl aryl ether - Aryl chloride - Benzenoid - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Aminosulfonyl compound - Carbamic acid ester - Tertiary carboxylic acid amide - Sulfonyl - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carbonic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Organic oxide - Organopnictogen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	4.9

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hepatitis C virus (23859 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Heart (171 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NS3 NS3 (1121 Activities)

Discover Target: NS3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NS4A Hepatitis C virus serine protease, NS3/NS4A (1215 Activities)

Discover Target: NS4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504768030
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768030
IUPAC Name	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]carbamate
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
Smiles	CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C
Isomeric SMILES	CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)OC4=NC=C(C5=C4C=C(C=C5)Cl)OC)NC(=O)OC(C)(C)C
Molecular Weight	748.29
Reaxy-Rn	31131205
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31131205&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
C2514273	Certificate of Analysis	Mar 21, 2025	A126103
I2206181	Certificate of Analysis	Jul 02, 2024	A126103
I2206185	Certificate of Analysis	Jul 02, 2024	A126103
I2206184	Certificate of Analysis	May 31, 2024	A126103
I2206192	Certificate of Analysis	May 31, 2024	A126103
L2219143	Certificate of Analysis	Jan 10, 2023	A126103
A1514053	Certificate of Analysis	Nov 17, 2022	A126103

Chemical and Physical Properties

Solubility	Soluble in DMSO.
Molecular Weight	748.300 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	14
Exact Mass	747.27 Da
Monoisotopic Mass	747.27 Da
Topological Polar Surface Area	191.000 Å²
Heavy Atom Count	51
Formal Charge	0
Complexity	1470.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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Asunaprevir - ≥98%, high purity , Hepatitis C virus serine protease, NS3/NS4A inhibitor, CAS No.630420-16-5, Hepatitis C virus serine protease, NS3/NS4A inhibitor

Basic Description

Taxonomic Classification

Product Properties

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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