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1258226-87-7,MFCD28386270
Catalog No.:AA000OP9

1258226-87-7 | L-Prolinamide, 2,2'-[[(2S,5S)-1-[4-(1,1-dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$13.00   $9.00
- +
5mg
98%
in stock  
$24.00   $17.00
- +
10mg
98%
in stock  
$32.00   $22.00
- +
100mg
98%
in stock  
$266.00   $187.00
- +
250mg
98%
in stock  
$422.00   $295.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000OP9
Chemical Name:
L-Prolinamide, 2,2'-[[(2S,5S)-1-[4-(1,1-dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl-
CAS Number:
1258226-87-7
Molecular Formula:
C50H67N7O8
Molecular Weight:
894.1091
MDL Number:
MFCD28386270
SMILES:
COC(=O)N[C@H](C(=O)N1CCC[C@]1(C(=O)N)c1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)[C@]1(CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(=O)N)C(C)C
Properties
Computed Properties
 
Complexity:
1540  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Heavy Atom Count:
65  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
16  
XLogP3:
7.9  

Downstream Synthesis Route
1258235-06-1    181827-47-4   
dimethyl(2S,2′S)-1,1′-((2S,2′S)-2,2′-(4,4′-((2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl)bis(4,1-phenylene))bis(azane-diyl)bis(oxomethylene)bis(pyrrolidine-2,1-diyl)bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate 

[1]Patent:WO2015/171162,2015,A1.Locationinpatent:Paragraph0029

Literature

Title: Resistance Mechanisms in Hepatitis C Virus: implications for Direct-Acting Antiviral Use.

Journal: Drugs 20170701

Title: Metabolism and Disposition of Pan-Genotypic Inhibitor of Hepatitis C Virus NS5A Ombitasvir in Humans.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20160801

Title: Ombitasvir/Paritaprevir/Ritonavir: A Review in Chronic HCV Genotype 4 Infection.

Journal: Drugs 20160801

Title: Interferon-free therapy for hepatitis C: The hurdles amid a golden era.

Journal: Digestive and liver disease : official journal of the Italian Society of Gastroenterology and the Italian Association for the Study of the Liver 20150901

Title: Ombitasvir/paritaprevir/ritonavir and dasabuvir tablets for hepatitis C virus genotype 1 infection.

Journal: The Annals of pharmacotherapy 20150501

Title: Dasabuvir : a new direct antiviral agent for the treatment of hepatitis C.

Journal: Expert opinion on pharmacotherapy 20150301

Title: An update on the management of chronic hepatitis C: 2015 Consensus guidelines from the Canadian Association for the Study of the Liver.

Journal: Canadian journal of gastroenterology & hepatology 20150101

Title: Discovery of ABT-267, a pan-genotypic inhibitor of HCV NS5A.

Journal: Journal of medicinal chemistry 20140313

Title: Hepatitis C virus NS5A: tales of a promiscuous protein.

Journal: The Journal of general virology 20040901

Title: Side effects of alpha interferon in chronic hepatitis C.

Journal: Hepatology (Baltimore, Md.) 19970901

Title: Krishnan P, et al. In vitro and in vivo antiviral activity and resistance profile of ombitasvir, an inhibitor of hepatitis C virus NS5A. Antimicrob Agents Chemother. 2015 Feb;59(2):979-87

Title: DeGoey DA, et al. Discovery of ABT-267, a pan-genotypic inhibitor of HCV NS5A. J Med Chem. 2014 Mar 13;57(5):2047-57

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SDS
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Tags:1258226-87-7 Molecular Formula|1258226-87-7 MDL|1258226-87-7 SMILES|1258226-87-7 L-Prolinamide, 2,2'-[[(2S,5S)-1-[4-(1,1-dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl-
Catalog No.: AA000OP9
1258226-87-7,MFCD28386270
1258226-87-7 | L-Prolinamide, 2,2'-[[(2S,5S)-1-[4-(1,1-dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl-
Pack Size： 1mg
Purity： 98%
in stock
$13.00 $9.00
Pack Size： 5mg
Purity： 98%
in stock
$24.00 $17.00
Pack Size： 10mg
Purity： 98%
in stock
$32.00 $22.00
Pack Size： 100mg
Purity： 98%
in stock
$266.00 $187.00
Pack Size： 250mg
Purity： 98%
in stock
$422.00 $295.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA000OP9
Chemical Name: L-Prolinamide, 2,2'-[[(2S,5S)-1-[4-(1,1-dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl-
CAS Number: 1258226-87-7
Molecular Formula: C50H67N7O8
Molecular Weight: 894.1091
MDL Number: MFCD28386270
SMILES: COC(=O)N[C@H](C(=O)N1CCC[C@]1(C(=O)N)c1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)[C@]1(CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)C(=O)N)C(C)C
Properties
Complexity: 1540  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 6  
Heavy Atom Count: 65  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 4  
Rotatable Bond Count: 16  
XLogP3: 7.9  
Downstream Synthesis Route
1258235-06-1    181827-47-4   
dimethyl(2S,2′S)-1,1′-((2S,2′S)-2,2′-(4,4′-((2S,5S)-1-(4-tert-butylphenyl)pyrrolidine-2,5-diyl)bis(4,1-phenylene))bis(azane-diyl)bis(oxomethylene)bis(pyrrolidine-2,1-diyl)bis(3-methyl-1-oxobutane-2,1-diyl))dicarbamate 

[1]Patent:WO2015/171162,2015,A1.Locationinpatent:Paragraph0029

Literature fold

Title: Resistance Mechanisms in Hepatitis C Virus: implications for Direct-Acting Antiviral Use.

Journal: Drugs20170701

Title: Metabolism and Disposition of Pan-Genotypic Inhibitor of Hepatitis C Virus NS5A Ombitasvir in Humans.

Journal: Drug metabolism and disposition: the biological fate of chemicals20160801

Title: Ombitasvir/Paritaprevir/Ritonavir: A Review in Chronic HCV Genotype 4 Infection.

Journal: Drugs20160801

Title: Interferon-free therapy for hepatitis C: The hurdles amid a golden era.

Journal: Digestive and liver disease : official journal of the Italian Society of Gastroenterology and the Italian Association for the Study of the Liver20150901

Title: Ombitasvir/paritaprevir/ritonavir and dasabuvir tablets for hepatitis C virus genotype 1 infection.

Journal: The Annals of pharmacotherapy20150501

Title: Dasabuvir : a new direct antiviral agent for the treatment of hepatitis C.

Journal: Expert opinion on pharmacotherapy20150301

Title: An update on the management of chronic hepatitis C: 2015 Consensus guidelines from the Canadian Association for the Study of the Liver.

Journal: Canadian journal of gastroenterology & hepatology20150101

Title: Discovery of ABT-267, a pan-genotypic inhibitor of HCV NS5A.

Journal: Journal of medicinal chemistry20140313

Title: Hepatitis C virus NS5A: tales of a promiscuous protein.

Journal: The Journal of general virology20040901

Title: Side effects of alpha interferon in chronic hepatitis C.

Journal: Hepatology (Baltimore, Md.)19970901

Title: Krishnan P, et al. In vitro and in vivo antiviral activity and resistance profile of ombitasvir, an inhibitor of hepatitis C virus NS5A. Antimicrob Agents Chemother. 2015 Feb;59(2):979-87

Title: DeGoey DA, et al. Discovery of ABT-267, a pan-genotypic inhibitor of HCV NS5A. J Med Chem. 2014 Mar 13;57(5):2047-57

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