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1234479-76-5,MFCD18642659
Catalog No.:AA009CF2

1234479-76-5 | Erk5-in-1

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$63.00   $44.00
- +
10mg
≥98%
in stock  
$112.00   $78.00
- +
25mg
≥98%
in stock  
$246.00   $172.00
- +
50mg
≥98%
in stock  
$428.00   $299.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009CF2
Chemical Name:
Erk5-in-1
CAS Number:
1234479-76-5
Molecular Formula:
C25H29N7O2
Molecular Weight:
459.5435
MDL Number:
MFCD18642659
SMILES:
COc1cc(ccc1Nc1ncc2c(n1)n(C)c1ccccc1c(=O)n2C)N1CCN(CC1)C
Properties
Computed Properties
 
Complexity:
703  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.1  

Downstream Synthesis Route
1234479-76-5   
2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5,11-dimethyl-5,11-dihydro-6H-benzoepyrimido5,4-b1,4diazepin-6-onetrifluoroacetate 

[1]Patent:WO2010/80712,2010,A2.Locationinpatent:Page/Pagecolumn54

[1]ACSMedicinalChemistryLetters,2011,vol.2,p.195-200

[1]ACSMedicinalChemistryLetters,2011,vol.2,p.195-200

[1]ACSMedicinalChemistryLetters,2011,vol.2,p.195-200

[1]ACSMedicinalChemistryLetters,2011,vol.2,p.195-200

Literature

Title: Deng X, et al. Structural determinants for ERK5 (MAPK7) and leucine rich repeat kinase 2 activities of benzo[epyrimido-,4-bdiazepine-6(11H)-ones. Eur J Med Chem. 2013;70:758-767.

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SDS
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