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AP14145 hydrochloride

CAT: 0931-T39963Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T39963Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2387505-59-9
Target
Others, Potassium Channel
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
AP14145 hydrochloride is a potent negative allosteric modulator of K Ca 2 (SK) channels, specifically targeting K Ca 2.2 (SK2) and K Ca 2.3 (SK3) channels with an IC 50 of 1.1 μM. Inhibition of AP14145 hydrochloride is highly influenced by S508 and A533 amino acids present in the channel. This compound effectively extends the atrial effective refractory period (AERP) in rats and exhibits antiarrhythmic properties in a Vernakalant-resistant porcine model of atrial fibrillation (AF) .
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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