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Home Amines 717906-29-1
717906-29-1,MFCD16038300
Catalog No.:AA005FEE

717906-29-1 | N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
95+%
in stock  
$14.00   $10.00
- +
10mg
95+%
in stock  
$50.00   $35.00
- +
50mg
95+%
in stock  
$132.00   $93.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA005FEE
Chemical Name:
N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide
CAS Number:
717906-29-1
Molecular Formula:
C22H21F3N6O3S
Molecular Weight:
506.5007
MDL Number:
MFCD16038300
SMILES:
O=C1Nc2c(C1)cc(cc2)Nc1ncc(c(n1)NCc1ccccc1N(S(=O)(=O)C)C)C(F)(F)F
Properties
Properties
 
Form:
Solid  
MP:
>214°C (dec.)  
Solubility:
DMSO: ≥10mg/mL  
Storage:
Light sensitive;Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
854  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  
XLogP3:
2.8  

Literature

Title: Emerging targets in osteoporosis disease modification.

Journal: Journal of medicinal chemistry 20100610

Title: Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity.

Journal: Bioorganic & medicinal chemistry letters 20090615

Title: Structural characterization of proline-rich tyrosine kinase 2 (PYK2) reveals a unique (DFG-out) conformation and enables inhibitor design.

Journal: The Journal of biological chemistry 20090508

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Tags:717906-29-1 Molecular Formula|717906-29-1 MDL|717906-29-1 SMILES|717906-29-1 N-Methyl-N-[2-[[[2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-trifluoromethylpyrimidin-4-yl]amino]methyl]phenyl]methanesulfonamide