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AP14145 (hydrochloride)

CAT: 0804-HY-120355ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120355ASize:5 mg
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Description
AP14145 hydrochloride is a potent KCa2 (SK) channel negative allosteric modulator with an IC50 of 1.1 μM for KCa2.2 (SK2) and KCa2.3 (SK3) channels. AP14145 hydrochloride inhibition strongly depends on two amino acids, S508 and A533 in the channel. AP14145 hydrochloride prolonged atrial effective refractory period (AERP) in rats and demonstrates antiarrhythmic effects in a Vernakalant-resistant porcine model of atrial fibrillation (AF) [1][2].
CAS Number
2387505-59-9
UNSPSC
12352005
Target
Potassium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/ap14145-hydrochloride.html
Purity
98.3
Solubility
10 mM in DMSO
Smiles
CC(NC1=C2C(N=C(N[C@@H](C3=CC=CC(C(F)(F)F)=C3)C)N2)=CC=C1)=O.[H]Cl
Molecular Formula
C18H18ClF3N4O
Molecular Weight
398.81
References & Citations
Ca2++
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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...
View on PubChemRaw 3D data
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

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