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1412418-47-3,MFCD19443124
Catalog No.:AA009C76

1412418-47-3 | Btk inhibitor 1

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Purity
Availability
Price(USD)
Quantity
  
5mg
98%
in stock  
$652.00   $457.00
- +
25mg
98%
in stock  
$1,627.00   $1,139.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA009C76
Chemical Name:
Btk inhibitor 1
CAS Number:
1412418-47-3
Molecular Formula:
C22H22N6O
Molecular Weight:
386.4497
MDL Number:
MFCD19443124
SMILES:
Nc1ncnc2c1c(nn2C1CCCNC1)c1ccc(cc1)Oc1ccccc1
Properties
Computed Properties
 
Complexity:
521  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.1  

Literature

Title: Somana Siva Prasad, et al. A QUALITY BY DESIGN APPROACH FOR DEVELOPMENT OF SIMPLE AND ROBUST REVERSED PHASE STABILITY INDICATING HPLC METHOD FOR ESTIMATION OF IBRUTINIB AND ITS IMPURITIES.

Title: Honigberg LA, et al. The Bruton tyrosine kinase inhibitor PCI-32765 blocks B-cell activation and is efficacious in models of autoimmune disease and B-cell malignancy. Proc Natl Acad Sci U S A. 2010 Jul 20;107(29):13075-80.

Title: Liu N, et al. Direct and two-step bioorthogonal probes for Bruton's tyrosine kinase based on ibrutinib: a comparative study. Org Biomol Chem. 2015 May 14;13(18):5147-57.

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SDS
Tags:1412418-47-3 Molecular Formula|1412418-47-3 MDL|1412418-47-3 SMILES|1412418-47-3 Btk inhibitor 1