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Asunaprevir

CAS No.:
630420-16-5
Catalog Number:
AG0039UQ
Molecular Formula:
C35H46ClN5O9S
Molecular Weight:
748.2858
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
98%(HPLC)
In Stock USA
United States
$103
- +
5mg
98%(HPLC)
In Stock USA
United States
$193
- +
10mg
98%(HPLC)
In Stock USA
United States
$290
- +
25mg
98%(HPLC)
In Stock USA
United States
$464
- +
100mg
98%(HPLC)
In Stock USA
United States
$1339
- +
Product Description
Catalog Number:
AG0039UQ
Chemical Name:
Asunaprevir
CAS Number:
630420-16-5
Molecular Formula:
C35H46ClN5O9S
Molecular Weight:
748.2858
MDL Number:
MFCD27987900
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
InChI Key:
XRWSZZJLZRKHHD-WVWIJVSJSA-N
SMILES:
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)Oc1ncc(c2c1cc(Cl)cc2)OC)C(=O)NS(=O)(=O)C1CC1
UNII:
S9X0KRJ00S
Properties
Complexity:
1470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
747.27g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
748.289g/mol
Monoisotopic Mass:
747.27g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
The discovery of asunaprevir (BMS-650032), an orally efficacious NS3 protease inhibitor for the treatment of hepatitis C virus infection. Journal of medicinal chemistry 20140313
Highly efficient infectious cell culture of three hepatitis C virus genotype 2b strains and sensitivity to lead protease, nonstructural protein 5A, and polymerase inhibitors. Hepatology (Baltimore, Md.) 20140201
Combination treatment with hepatitis C virus protease and NS5A inhibitors is effective against recombinant genotype 1a, 2a, and 3a viruses. Antimicrobial agents and chemotherapy 20130301
Combinations of lambda interferon with direct-acting antiviral agents are highly efficient in suppressing hepatitis C virus replication. Antimicrobial agents and chemotherapy 20130301
Properties