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675103-36-3,MFCD29924806
Catalog No.:AA01E4Y8

675103-36-3 | BAY678

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$55.00   $38.00
- +
5mg
≥98%
in stock  
$133.00   $93.00
- +
10mg
≥98%
in stock  
$238.00   $166.00
- +
25mg
≥98%(HPLC)
in stock  
$516.00   $362.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01E4Y8
Chemical Name:
BAY678
CAS Number:
675103-36-3
Molecular Formula:
C20H15F3N4O2
Molecular Weight:
400.3539
MDL Number:
MFCD29924806
SMILES:
N#Cc1ccc(cn1)[C@H]1NC(=O)N(C(=C1C(=O)C)C)c1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
755  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.5  

Literature

Title: von Nussbaum F, et al. Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem. 2015 Jul;10(7):1163-73.

Title: von Nussbaum F, et al. Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores. Bioorg Med Chem Lett. 2015 Oct 15;25(20):4370-81.

Title: BAY-678 Selective chemical probe for Human Neutrophil Elastase.

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SDS
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