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1395084-25-9,MFCD27992062
Catalog No.:AA009BMR

1395084-25-9 | MS436

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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009BMR
Chemical Name:
MS436
CAS Number:
1395084-25-9
Molecular Formula:
C18H17N5O3S
Molecular Weight:
383.4243
MDL Number:
MFCD27992062
SMILES:
Nc1cc(O)c(cc1/N=N/c1ccc(cc1)S(=O)(=O)Nc1ccccn1)C
Properties
Computed Properties
 
Complexity:
601  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
5  
XLogP3:
2.8  

Upstream Synthesis Route

[1]Patent:WO2012/116170,2012,A1,.Locationinpatent:Page/Pagecolumn68-69

[2]JournalofMedicinalChemistry,2013,vol.56,#22,p.9251-9264

[1]JournalofMedicinalChemistry,2013,vol.56,#22,p.9251-9264

[1]JournalofMedicinalChemistry,2013,vol.56,#22,p.9251-9264

[1]JournalofMedicinalChemistry,2013,vol.56,#22,p.9251-9264

[1]JournalofMedicinalChemistry,2013,vol.56,#22,p.9251-9264

Literature

Title: Structure-guided design of potent diazobenzene inhibitors for the BET bromodomains.

Journal: Journal of medicinal chemistry 20131127

Title: Zhang G, et al. Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains. J Med Chem. 2013 Nov 27;56(22):9251-64.

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SDS
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