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APJ receptor agonist 8

CAT: 0013-GTR19235610-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235610-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
APJ receptor agonist 8 is a synthetic small molecule that activates the APJ receptor, mimicking endogenous Apelin. With an EC50 of 21.5 μM, it enhances cardiac contractility in isolated heart models, making it a useful research tool for studying cardiovascular physiology and APJ receptor signaling in vitro.
CAS Number
2049973-39-7
Field of Research
Cardiovascular Research; Pharmacology & Drug Discovery, Pharmacology & Drug Discovery
Purity
98.31% (May vary between batches)
Smiles
N (S ([C@H] ([C@H] (O) C=1N=CC (C) =CN1) C) (=O) =O) C=2N (C (=NN2) C=3N=C (C) C=CC3) C4=C (OC) C=CC=C4OC
Molecular Formula
C24H27N7O5S
Molecular Weight
525.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

APJ receptor agonist 8
CAS Number2049973-39-7
PubChem CID122701908
IUPAC Name(1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-1-hydroxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
Molecular FormulaC24H27N7O5S
Molecular Weight525.6
XLogP1.9
Topological Polar Surface Area163
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity813
SMILES
CC1=NC(=CC=C1)C2=NN=C(N2C3=C(C=CC=C3OC)OC)NS(=O)(=O)[C@@H](C)[C@@H](C4=NC=C(C=N4)C)O
InChI
InChI=1S/C24H27N7O5S/c1-14-12-25-22(26-13-14)21(32)16(3)37(33,34)30-24-29-28-23(17-9-6-8-15(2)27-17)31(24)20-18(35-4)10-7-11-19(20)36-5/h6-13,16,21,32H,1-5H3,(H,29,30)/t16-,21-/m0/s1
InChIKey
HNGYVRSMVVCWGF-KKSFZXQISA-N
Chemical Structure
2D Structure
2D structure of APJ receptor agonist 8
CAS: 2049973-39-7
CID: 122701908
Formula: C24H27N7O5S
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass525.17943816
Monoisotopic Mass525.17943816
Topological Polar Surface Area163 Ų
Heavy Atom Count37
Formal Charge0
Complexity813
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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