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Gsk2256294a

CAS No.:
1142090-23-0
Catalog Number:
AG008TNL
Molecular Formula:
C21H24F3N7O
Molecular Weight:
447.4568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$423
- +
10mg
99%
1 week
United States
$640
- +
50mg
99%
1 week
United States
$1473
- +
100mg
99%
1 week
United States
$2057
- +
Product Description
Catalog Number:
AG008TNL
Chemical Name:
Gsk2256294a
CAS Number:
1142090-23-0
Molecular Formula:
C21H24F3N7O
Molecular Weight:
447.4568
MDL Number:
MFCD27987923
IUPAC Name:
(1R,3S)-N-[[4-cyano-2-(trifluoromethyl)phenyl]methyl]-3-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
InChI:
InChI=1S/C21H24F3N7O/c1-12-28-19(26-2)31-20(29-12)30-16-5-3-4-14(9-16)18(32)27-11-15-7-6-13(10-25)8-17(15)21(22,23)24/h6-8,14,16H,3-5,9,11H2,1-2H3,(H,27,32)(H2,26,28,29,30,31)/t14-,16+/m1/s1
InChI Key:
LQHDJQIMETZMPH-ZBFHGGJFSA-N
SMILES:
CNc1nc(N[C@H]2CCC[C@H](C2)C(=O)NCc2ccc(cc2C(F)(F)F)C#N)nc(n1)C
UNII:
L33EX3XR0T
Properties
Complexity:
682  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
447.199g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
447.466g/mol
Monoisotopic Mass:
447.199g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Pharmacokinetics, pharmacodynamics and adverse event profile of GSK2256294, a novel soluble epoxide hydrolase inhibitor. British journal of clinical pharmacology 20160501
Action of epoxyeicosatrienoic acids on cellular function. American journal of physiology. Cell physiology 20070301
Epoxyeicosatrienoic acids (EETs): metabolism and biochemical function. Progress in lipid research 20040101
Properties