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WNK463

CAT: 0013-GTR19162864-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162864-02Size:500 mg
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Description
The first, potent, selective, and orally bioavailable pan With-No-Lysine (WNK) Kinase catalytic activity inhibitor with IC50 of 5/1/6/9 nM for WNK1/2/3/4, respectively; shows >50% inhibition against only 2 out of 442 human kinases at 10 uM; affects blood pressure and body fluid and electro-lyte homeostasis in rodent models of hypertension.
CAS Number
2012607-27-9
Product Name Alternative
WNK-463 | WNK 463
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 30 mg/mL
Smiles
O=C (C1=CN=CN1C2CCN (C3=NC=C (C4=NN=C (C (F) (F) F) O4) C=C3) CC2) NC (C) (C) C
Molecular Formula
C21H24F3N7O2
Molecular Weight
463.4562
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1H-Imidazole-5-carboxamide, N- (1,1-dimethylethyl) -1-[1-[5-[5- (trifluoromethyl) -1,3,4-oxadiazol-2-yl]-2-pyridinyl]-4-piperidinyl]-

Chemical Information

N-Tert-Butyl-1-(1-{5-[5-(Trifluoromethyl)-1,3,4-Oxadiazol-2-Yl]pyridin-2-Yl}piperidin-4-Yl)-1h-Imidazole-5-Carboxamide
CAS Number2012607-27-9
PubChem CID121487936
IUPAC NameN-tert-butyl-3-[1-[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]piperidin-4-yl]imidazole-4-carboxamide
Molecular FormulaC21H24F3N7O2
Molecular Weight463.5
XLogP2.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity682
SMILES
CC(C)(C)NC(=O)C1=CN=CN1C2CCN(CC2)C3=NC=C(C=C3)C4=NN=C(O4)C(F)(F)F
InChI
InChI=1S/C21H24F3N7O2/c1-20(2,3)27-17(32)15-11-25-12-31(15)14-6-8-30(9-7-14)16-5-4-13(10-26-16)18-28-29-19(33-18)21(22,23)24/h4-5,10-12,14H,6-9H2,1-3H3,(H,27,32)
InChIKey
HWSHOMMVLGBIDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Tert-Butyl-1-(1-{5-[5-(Trifluoromethyl)-1,3,4-Oxadiazol-2-Yl]pyridin-2-Yl}piperidin-4-Yl)-1h-Imidazole-5-Carboxamide
CAS: 2012607-27-9
CID: 121487936
Formula: C21H24F3N7O2
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass463.19435752
Monoisotopic Mass463.19435752
Topological Polar Surface Area102 Ų
Heavy Atom Count33
Formal Charge0
Complexity682
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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