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AP14145 hydrochloride

CAT: 0013-GTR19189156Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189156Size:5 mg
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Description
AP14145 hydrochloride is a potent and selective negative allosteric modulator of SK2 and SK3 channels (IC50 = 1.1 μM), with activity dependent on S508 and A533 residues. It demonstrates antiarrhythmic efficacy by prolonging the atrial effective refractory period in vivo, including in Vernakalant-resistant models of atrial fibrillation.
CAS Number
2387505-59-9
Field of Research
Pharmacology & Drug Discovery
Smiles
Cl.C[C@@H] (Nc1nc2cccc (NC (C) =O) c2[nH]1) c1cccc (c1) C (F) (F) F
Molecular Formula
C18H18ClF3N4O
Molecular Weight
398.81
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AP14145 hydrochloride
CAS Number2387505-59-9
PubChem CID146018940
IUPAC NameN-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1H-benzimidazol-4-yl]acetamide;hydrochloride
Molecular FormulaC18H18ClF3N4O
Molecular Weight398.8
Topological Polar Surface Area69.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity501
SMILES
C[C@H](C1=CC(=CC=C1)C(F)(F)F)NC2=NC3=C(N2)C=CC=C3NC(=O)C.Cl
InChI
InChI=1S/C18H17F3N4O.ClH/c1-10(12-5-3-6-13(9-12)18(19,20)21)22-17-24-15-8-4-7-14(16(15)25-17)23-11(2)26;/h3-10H,1-2H3,(H,23,26)(H2,22,24,25);1H/t10-;/m1./s1
InChIKey
KGIUXIYNTCVBST-HNCPQSOCSA-N
Chemical Structure
2D Structure
2D structure of AP14145 hydrochloride
CAS: 2387505-59-9
CID: 146018940
Formula: C18H18ClF3N4O
MW: 398.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight398.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass398.1121234
Monoisotopic Mass398.1121234
Topological Polar Surface Area69.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity501
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes