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1147350-75-1,MFCD26793853
Catalog No.:AA000F14

1147350-75-1 | Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-2,6,7,7a-tetrahydro-2-oxo-, methyl ester, (αS)-

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Purity
Availability
Price(USD)
Quantity
  
5mg
98%
1 week  
$495.00   $347.00
- +
10mg
98%
1 week  
$749.00   $524.00
- +
50mg
98%
1 week  
$1,765.00   $1,235.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000F14
Chemical Name:
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-2,6,7,7a-tetrahydro-2-oxo-, methyl ester, (αS)-
CAS Number:
1147350-75-1
Molecular Formula:
C16H16ClNO3S
Molecular Weight:
337.8211
MDL Number:
MFCD26793853
SMILES:
COC(=O)[C@H](c1ccccc1Cl)N1CCC2C(=CC(=O)S2)C1
Properties
Computed Properties
 
Complexity:
496  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Patent:WO2012/25942,2012,A1

[2]Patent:WO2012/25942,2012,A1

[3]JournalofMedicinalChemistry,2012,vol.55,p.3342-3352

[4]Patent:EP2532668,2012,A1

[5]Patent:US2013/165476,2013,A1

(R)-2-(2-chlorophenyl)-2-(4-nitrobenzenesulfonyloxy)aceticacidmethylester 
  115473-15-9    1147350-75-1 

[1]JournalofMedicinalChemistry,2012,vol.55,p.3342-3352

[2]Patent:EP2532668,2012,A1.Locationinpatent:Page/Pagecolumn7-8

[3]Patent:WO2012/25942,2012,A1.Locationinpatent:Page/Pagecolumn20-21

[4]Patent:US2013/165476,2013,A1.Locationinpatent:Paragraph0092;0093

[1]Locationinpatent:experimentalpartShan,Jiaqi;Zhang,Boyu;Zhu,Yaoqiu;Jiao,Bo;Zheng,Weiyi;Qi,Xiaowei;Gong,Yanchun;Yuan,Fang;Lv,Fusheng;Sun,Hongbin[JournalofMedicinalChemistry,2012,vol.55,#7,p.3342-3352]

[2]CurrentPatentAssignee:JILINYATAI(GROUP)CO.,LTD.-EP2532668,2012,A1Locationinpatent:Page/Pagecolumn10

[3]CurrentPatentAssignee:JILINYATAI(GROUP)CO.,LTD.-US2013/165476,2013,A1Locationinpatent:Paragraph0103;0104

1147350-75-1    55764-23-3   
C22H24ClNO5S2 

[1]CurrentPatentAssignee:UNIVERSITYOFMICHIGAN-WO2014/109987,2014,A1Locationinpatent:Page/Pagecolumn38

38240-29-8    1147350-75-1   
C21H20ClN3O6S2 

[1]Patent:WO2014/109987,2014,A1.Locationinpatent:Page/Pagecolumn45;46

Literature

Title: Glutaredoxin is involved in the formation of the pharmacologically active metabolite of clopidogrel from its GSH conjugate.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120901

Title: Formation of the thiol conjugates and active metabolite of clopidogrel by human liver microsomes.

Journal: Molecular pharmacology 20120801

Title: Overcoming clopidogrel resistance: discovery of vicagrel as a highly potent and orally bioavailable antiplatelet agent.

Journal: Journal of medicinal chemistry 20120412

Title: Cytochromes P450 catalyze both steps of the major pathway of clopidogrel bioactivation, whereas paraoxonase catalyzes the formation of a minor thiol metabolite isomer.

Journal: Chemical research in toxicology 20120220

Title: Dissecting the activation of thienopyridines by cytochromes P450 using a pharmacodynamic assay in vitro.

Journal: The Journal of pharmacology and experimental therapeutics 20111101

Title: Identification of the human cytochrome P450 enzymes involved in the two oxidative steps in the bioactivation of clopidogrel to its pharmacologically active metabolite.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20100101

Title: Cytochrome P-450 polymorphisms and response to clopidogrel.

Journal: The New England journal of medicine 20090521

Title: Shan J, et, al. Overcoming clopidogrel resistance: discovery of vicagrel as a highly potent and orally bioavailable antiplatelet agent. J Med Chem. 2012 Apr 12;55(7):3342-52.

Title: Hagihara K, et, al. Comparison of formation of thiolactones and active metabolites of prasugrel and clopidogrel in rats and dogs. Xenobiotica. 2009 Mar;39(3):218-26.

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Tags:1147350-75-1 Molecular Formula|1147350-75-1 MDL|1147350-75-1 SMILES|1147350-75-1 Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-2,6,7,7a-tetrahydro-2-oxo-, methyl ester, (αS)-