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Home Amines 252017-04-2
252017-04-2,MFCD25976792
Catalog No.:AA002QTI

252017-04-2 | 4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-benzamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$58.00   $40.00
- +
5mg
98%
in stock  
$181.00   $127.00
- +
10mg
98%
in stock  
$234.00   $164.00
- +
50mg
98%
in stock  
$396.00   $277.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA002QTI
Chemical Name:
4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-benzamide
CAS Number:
252017-04-2
Molecular Formula:
C19H18ClF3N2O5S
Molecular Weight:
478.8698
MDL Number:
MFCD25976792
SMILES:
CN(C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(c(c1)Cl)NC(=O)[C@](C(F)(F)F)(O)C)C
Properties
Computed Properties
 
Complexity:
778  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
2.7  

Literature

Title: VER-246608, a novel pan-isoform ATP competitive inhibitor of pyruvate dehydrogenase kinase, disrupts Warburg metabolism and induces context-dependent cytostasis in cancer cells.

Journal: Oncotarget 20141201

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: Specific ion influences on self-association of pyruvate dehydrogenase kinase isoform 2 (PDHK2), binding of PDHK2 to the L2 lipoyl domain, and effects of the lipoyl group-binding site inhibitor, Nov3r.

Journal: Biochemistry 20080226

Title: Distinct structural mechanisms for inhibition of pyruvate dehydrogenase kinase isoforms by AZD7545, dichloroacetate, and radicicol.

Journal: Structure (London, England : 1993) 20070801

Title: Recognition of the inner lipoyl-bearing domain of dihydrolipoyl transacetylase and of the blood glucose-lowering compound AZD7545 by pyruvate dehydrogenase kinase 2.

Journal: Biochemistry 20070724

Title: AZD7545, a novel inhibitor of pyruvate dehydrogenase kinase 2 (PDHK2), activates pyruvate dehydrogenase in vivo and improves blood glucose control in obese (fa/fa) Zucker rats.

Journal: Biochemical Society transactions 20031201

Title: AZD7545 is a selective inhibitor of pyruvate dehydrogenase kinase 2.

Journal: Biochemical Society transactions 20031201

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Tags:252017-04-2 Molecular Formula|252017-04-2 MDL|252017-04-2 SMILES|252017-04-2 4-[[3-chloro-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl]amino]phenyl]sulfonyl]-N,N-dimethyl-benzamide