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A-935142

CAT: 1410-M33253-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M33253-02Size:5 mg
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Description
A-935142 is a human ether-a-go-go-related gene (hERG, Kv 11.1) channel activator that enhances hERG currents by slowing inactivation, promoting activation, reducing inactivation, and shortening atrial and ventricular repolarization in a complex manner.
CAS Number
1031335-85-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
352.35
Molecular Formula
C18H19F3N2O2
Notes
Research use only, not for human use.
Receptor
EGFR

Chemical Information

(4-(4-(5-trifluoromethyl-1H-pyrazol-3-yl)phenyl)cyclohexyl)acetic acid

an hERG channel activator; structure in first source

CAS Number1031335-85-9
PubChem CID25125452
IUPAC Name2-[4-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]cyclohexyl]acetic acid
Molecular FormulaC18H19F3N2O2
Molecular Weight352.4
XLogP4.5
Topological Polar Surface Area66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity456
SMILES
C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NNC(=C3)C(F)(F)F
InChI
InChI=1S/C18H19F3N2O2/c19-18(20,21)16-10-15(22-23-16)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-17(24)25/h5-8,10-12H,1-4,9H2,(H,22,23)(H,24,25)
InChIKey
YPHFQSYEKIEMNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-(4-(5-trifluoromethyl-1H-pyrazol-3-yl)phenyl)cyclohexyl)acetic acid
CAS: 1031335-85-9
CID: 25125452
Formula: C18H19F3N2O2
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass352.13986234
Monoisotopic Mass352.13986234
Topological Polar Surface Area66 Ų
Heavy Atom Count25
Formal Charge0
Complexity456
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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