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544678-85-5,MFCD09878513
Catalog No.:AA00DFBS

544678-85-5 | N4,N6-Bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide

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Purity
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1mg
≥98%
in stock  
$173.00   $121.00
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5mg
≥98%
in stock  
$508.00   $355.00
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10mg
≥98%
in stock  
$859.00   $601.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DFBS
Chemical Name:
N4,N6-Bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide
CAS Number:
544678-85-5
Molecular Formula:
C22H20F2N4O2
Molecular Weight:
410.4166
MDL Number:
MFCD09878513
SMILES:
O=C(c1ncnc(c1)C(=O)NCc1ccc(c(c1)C)F)NCc1ccc(c(c1)C)F
Properties
Computed Properties
 
Complexity:
546  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
3.3  

Downstream Synthesis Route

[1]Patent:WO2014/62204,2014,A1.Locationinpatent:Page/Pagecolumn50

Literature

Title: Calculation of binding free energies for non-zinc chelating pyrimidine dicarboxamide inhibitors with MMP-13.

Journal: Bioorganic & medicinal chemistry letters 20090101

Title: Engel CK, et al. Structural basis for the highly selective inhibition of MMP-13. Chem Biol. 2005 Feb;12(2):181-9.

Title: Thomas S. Lisse, et al. Paclitaxel-induced epithelial damage and ectopic MMP-13 expression promotes neurotoxicity in zebrafish. Proc Natl Acad Sci U S A. 2016 Apr 12; 113(15): E2189–E2198.

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SDS
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Tags:544678-85-5 Molecular Formula|544678-85-5 MDL|544678-85-5 SMILES|544678-85-5 N4,N6-Bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide