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Home Other Building Blocks 1235560-28-7
1235560-28-7,MFCD29924737
Catalog No.:AA000KPR

1235560-28-7 | ABT-639

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$19.00   $14.00
- +
10mg
98+%
in stock  
$86.00   $61.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000KPR
Chemical Name:
ABT-639
CAS Number:
1235560-28-7
Molecular Formula:
C20H20ClF2N3O3S
Molecular Weight:
455.9059
MDL Number:
MFCD29924737
SMILES:
Fc1cc(Cl)c(cc1S(=O)(=O)Nc1ccccc1F)C(=O)N1CCN2[C@@H](C1)CCC2
Properties
Computed Properties
 
Complexity:
737  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Patent:WO2010/83264,2010,A1.Locationinpatent:Page/Pagecolumn61-62

1235560-28-7   
4-chloro-2-fluoro-N-(2-fluorophenyl)-5-(8aR)-hexahydropyrrolo1,2-apyrazin-2(1H)-ylcarbonylbenzenesulfonamidehydrochloride 

[1]Patent:WO2010/83264,2010,A1.Locationinpatent:Page/Pagecolumn62

1235560-28-7   
(R)-4-chloro-2-fluoro-N-(2-fluorophenyl)-5-(octahydropyrrolo1,2-apyrazine-2-carbonyl)benzenesulfonamidemonohydrochloride 

[1]ACSMedicinalChemistryLetters,2015,vol.6,p.641-644

[1]ACSMedicinalChemistryLetters,2015,vol.6,p.641-644

[1]ACSMedicinalChemistryLetters,2015,vol.6,p.641-644

Literature

Title: A peripherally acting, selective T-type calcium channel blocker, ABT-639, effectively reduces nociceptive and neuropathic pain in rats.

Journal: Biochemical pharmacology 20140615

Title: Jarvis MF, et al. A peripherally acting, selective T-type calcium channel blocker, ABT-639, effectively reduces nociceptive and neuropathic pain in rats. Biochem Pharmacol. 2014 Jun 15;89(4):536-44.

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SDS
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