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1906919-67-2,MFCD30146419
Catalog No.:AA01EG0R

1906919-67-2 | BAY 598 - Bio-X

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
99%
in stock  
$48.00   $34.00
- +
5mg
99%
in stock  
$122.00   $86.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01EG0R
Chemical Name:
BAY 598 - Bio-X
CAS Number:
1906919-67-2
Molecular Formula:
C22H20Cl2F2N6O3
Molecular Weight:
525.3354
MDL Number:
MFCD30146419
SMILES:
N#C/N=C(\N1C[C@@H](C(=N1)c1ccc(c(c1)Cl)Cl)N(C(=O)CO)CC)/Nc1cccc(c1)OC(F)F
Properties
Computed Properties
 
Complexity:
854  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
9  
XLogP3:
4.4  

Literature

Title: Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2.

Journal: Journal of medicinal chemistry 20160526

Title: Reynoird N, et al. Coordination of stress signals by the lysine methyltransferase SMYD2 promotes pancreaticcancer. Genes Dev. 2016 Apr 1;30(7):772-85.

Title: Eggert E, et al. Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2. J Med Chem. 2016 May 26;59(10):4578-600.

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