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A-935142

CAT: 0013-GTR19204116-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204116-06Size:100 mg
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Description
A-935142 is a small molecule activator of the hERG (Kv11.1) potassium channel. It modulates channel gating by slowing inactivation and promoting activation, leading to shortened cardiac repolarization. This compound is used in vitro and in vivo to study arrhythmia mechanisms and cardiac electrophysiology.
CAS Number
1031335-85-9
Product Name Alternative
A 935142, A935142, A-935142, hERG Potassium Channel
Field of Research
Cardiovascular Research, Pharmacology & Drug Discovery, Signal Transduction
Purity
98.97% (May vary between batches)
Solubility
DMSO:5.63 mg/mL (15.98 mM)
Smiles
C (F) (F) (F) C1=CC (=NN1) C2=CC=C (C=C2) [C@H]3CC[C@H] (CC (O) =O) CC3
Molecular Formula
C18H19F3N2O2
Molecular Weight
352.35
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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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