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NY0123

CAT: 0013-GTR19209817-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209817-03Size:100 mg
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Description
NY0123 is a potent and selective EPAC antagonist exhibiting inhibitory activity in the low micromolar range. This small molecule is a valuable research tool for investigating cAMP/EPAC signaling pathways in both cellular and animal models of cancer and cardiovascular disease.
CAS Number
1801911-70-5
Smiles
C (C (=NNC1=CC (Cl) =C (Cl) C (Cl) =C1) C#N) (=O) C=2C=C (C (C) (C) C) ON2
Molecular Formula
C16H13Cl3N4O2
Molecular Weight
399.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1E)-2-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxo-N-(3,4,5-trichloroanilino)ethanimidoyl cyanide
CAS Number1801911-70-5
PubChem CID122181840
IUPAC Name(1E)-2-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxo-N-(3,4,5-trichloroanilino)ethanimidoyl cyanide
Molecular FormulaC16H13Cl3N4O2
Molecular Weight399.7
XLogP6.5
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity572
SMILES
CC(C)(C)C1=CC(=NO1)C(=O)/C(=N/NC2=CC(=C(C(=C2)Cl)Cl)Cl)/C#N
InChI
InChI=1S/C16H13Cl3N4O2/c1-16(2,3)13-6-11(23-25-13)15(24)12(7-20)22-21-8-4-9(17)14(19)10(18)5-8/h4-6,21H,1-3H3/b22-12+
InChIKey
BVFFSUDSERHSKS-WSDLNYQXSA-N
Chemical Structure
2D Structure
2D structure of (1E)-2-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxo-N-(3,4,5-trichloroanilino)ethanimidoyl cyanide
CAS: 1801911-70-5
CID: 122181840
Formula: C16H13Cl3N4O2
MW: 399.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.7
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass398.010409
Monoisotopic Mass398.010409
Topological Polar Surface Area91.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity572
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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