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630420-16-5,MFCD27987900
Catalog No.:AA0039RY

630420-16-5 | Asunaprevir

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%(HPLC)
in stock  
$47.00   $33.00
- +
5mg
98%(HPLC)
in stock  
$93.00   $65.00
- +
10mg
98%(HPLC)
in stock  
$137.00   $96.00
- +
50mg
98%
in stock  
$145.00   $102.00
- +
250mg
95%
in stock  
$684.00   $479.00
- +
1g
98%
in stock  
$2,172.00   $1,520.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0039RY
Chemical Name:
Asunaprevir
CAS Number:
630420-16-5
Molecular Formula:
C35H46ClN5O9S
Molecular Weight:
748.2858
MDL Number:
MFCD27987900
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
Properties
Computed Properties
 
Complexity:
1470  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
14  
XLogP3:
4.9  

Upstream Synthesis Route

[1]Patent:US2009/274652,2009,A1,.Locationinpatent:Page/Pagecolumn38;40

[1]BioorganicandMedicinalChemistryLetters,2011,vol.21,#7,p.2048-2054

[1]Patent:WO2012/166459,2012,A1,.Locationinpatent:Page/Pagecolumn29

[1]Patent:WO2009/85659,2009,A1,.Locationinpatent:Page/Pagecolumn25;26-27

[1]JournalofMedicinalChemistry,2014,vol.57,#5,p.1730-1752

Downstream Synthesis Route

[1]Patent:WO2009/85659,2009,A1.Locationinpatent:Page/Pagecolumn25;26-27

630420-16-5   
(2S,4R)-1-((S)-2-amino-3,3-dimethylbutanoyl)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-N-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)pyrrolidine-2-carboxamidedihydrochloride 

[1]Patent:US2009/274652,2009,A1.Locationinpatent:Page/Pagecolumn38-40

(2S,4R)-4-(7-chloro-4-methoxyisoquinolin-1-yloxy)-N-((1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinylcyclopropyl)pyrrolidine-2-carboxamidedihydrochloride 
  62965-35-9    630420-16-5 

[1]Patent:US2009/274652,2009,A1.Locationinpatent:Page/Pagecolumn38;40

[1]BioorganicandMedicinalChemistryLetters,2011,vol.21,p.2048-2054

Literature

Title: The discovery of asunaprevir (BMS-650032), an orally efficacious NS3 protease inhibitor for the treatment of hepatitis C virus infection.

Journal: Journal of medicinal chemistry 20140313

Title: Highly efficient infectious cell culture of three hepatitis C virus genotype 2b strains and sensitivity to lead protease, nonstructural protein 5A, and polymerase inhibitors.

Journal: Hepatology (Baltimore, Md.) 20140201

Title: Combination treatment with hepatitis C virus protease and NS5A inhibitors is effective against recombinant genotype 1a, 2a, and 3a viruses.

Journal: Antimicrobial agents and chemotherapy 20130301

Title: Combinations of lambda interferon with direct-acting antiviral agents are highly efficient in suppressing hepatitis C virus replication.

Journal: Antimicrobial agents and chemotherapy 20130301

Title: Pelosi LA, et al. Effect on HCV Replication by Combinations of Direct Acting Antivirals Including NS5A Inhibitor BMS-790052.Antimicrob Agents Chemother. 2012 Jul 30.

Title: McPhee F, et al. Preclinical Profile and Characterization of the Hepatitis C Virus NS3 Protease Inhibitor Asunaprevir (BMS-650032).Antimicrob Agents Chemother. 2012 Aug 6.

Title: McPhee F, et al. Resistance analysis of the hepatitis C virus NS3 protease inhibitor asunaprevir. Antimicrob Agents Chemother. 2012 Jul;56(7):3670-81.

Title: Pasquinelli C, et al. Single- and multiple-ascending-dose studies of the NS3 protease inhibitor asunaprevir in subjects with or without chronic hepatitis C. Antimicrob Agents Chemother. 2012 Apr;56(4):1838-44.

Title: Qi Sun, et al. Bardoxolone and bardoxolone methyl, two Nrf2 activators in clinical trials, inhibit SARS-CoV-2 replication and its 3C-like protease. Signal Transduct Target Ther. 2021 May 29;6(1):212.

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