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APJ receptor agonist 1

CAT: 0013-GTR19189250Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189250Size:5 mg
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Description
APJ receptor agonist 1 is a potent biphenyl acid agonist of the APJ receptor, demonstrating sub-nanomolar EC50 values for human and rat receptors. It mimics the endogenous ligand apelin-13 and is a valuable research tool for studying heart failure mechanisms in both cellular and animal models.
CAS Number
2287153-38-0
Field of Research
Cardiovascular Research; Pharmacology & Drug Discovery, Pharmacology & Drug Discovery
Smiles
CCCC (NC (=O) c1ccc (c (c1) C (O) =O) -c1c (Cl) cccc1-c1nc2ccccc2[nH]1) c1ccccc1
Molecular Formula
C31H26ClN3O3
Molecular Weight
524.02
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

APJ receptor agonist 1
CAS Number2287153-38-0
PubChem CID137501999
IUPAC Name2-[2-(1H-benzimidazol-2-yl)-6-chlorophenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid
Molecular FormulaC31H26ClN3O3
Molecular Weight524.0
XLogP7
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity805
SMILES
CCC[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)C3=C(C=CC=C3Cl)C4=NC5=CC=CC=C5N4)C(=O)O
InChI
InChI=1S/C31H26ClN3O3/c1-2-9-25(19-10-4-3-5-11-19)35-30(36)20-16-17-21(23(18-20)31(37)38)28-22(12-8-13-24(28)32)29-33-26-14-6-7-15-27(26)34-29/h3-8,10-18,25H,2,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/t25-/m1/s1
InChIKey
KCWRZNXFHSFVKD-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of APJ receptor agonist 1
CAS: 2287153-38-0
CID: 137501999
Formula: C31H26ClN3O3
MW: 524.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.0
XLogP37
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass523.1662694
Monoisotopic Mass523.1662694
Topological Polar Surface Area95.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity805
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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