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APJ receptor agonist 11

CAT: 0804-HY-169752Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-169752Size:1 Each
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Description
APJ receptor agonist 11 (Ex 174) is a APJ receptor agonist with IC50 values ranging from 0.01 nM to 10 nM. APJ receptor agonist 11 can be used in the study of cardiovascular diseases[1].
CAS Number
2135515-67-0
UNSPSC
12352005
Target
Apelin Receptor (APJ)
Related Pathways
GPCR/G Protein
Field of Research
Cardiovascular Disease
Smiles
O=C1N=C(N(C2=C(CC)C=CC=C2CC)C(O)=C1C(N3CCC(C3)C4=NC=C(C=C4F)Cl)=O)C5=NN(C)C=C5
Molecular Formula
C28H28ClFN6O3
Molecular Weight
551.01
References & Citations
[1]Zulan Pi, et al. 6-hydroxy-4-oxo-1,4-dihydropyrimidine-5-carboxamides as apj agonists. WO2017165640A1. 2017-09-28.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

APJ receptor agonist 4
CAS Number2135515-67-0
PubChem CID137198107
IUPAC Name5-[3-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-3-(2,6-diethylphenyl)-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one
Molecular FormulaC28H28ClFN6O3
Molecular Weight551.0
XLogP4.6
Topological Polar Surface Area104
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity998
SMILES
CCC1=C(C(=CC=C1)CC)N2C(=NC(=C(C2=O)C(=O)N3CCC(C3)C4=C(C=C(C=N4)Cl)F)O)C5=NN(C=C5)C
InChI
InChI=1S/C28H28ClFN6O3/c1-4-16-7-6-8-17(5-2)24(16)36-25(21-10-11-34(3)33-21)32-26(37)22(28(36)39)27(38)35-12-9-18(15-35)23-20(30)13-19(29)14-31-23/h6-8,10-11,13-14,18,37H,4-5,9,12,15H2,1-3H3
InChIKey
ZJTWRAXKYGIUOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of APJ receptor agonist 4
CAS: 2135515-67-0
CID: 137198107
Formula: C28H28ClFN6O3
MW: 551.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.0
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass550.1895446
Monoisotopic Mass550.1895446
Topological Polar Surface Area104 Ų
Heavy Atom Count39
Formal Charge0
Complexity998
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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