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APJ receptor agonist 6

CAT: 0931-T63669-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63669-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1965244-85-2
Target
Others, Apelin receptor, Arrestin
Related Pathways
Others, GPCR/G Protein
Bioactivity
APJ receptor agonist 6 is a potent agonist of the APJ (apelin receptor) (Ki: 0.059 μM) . (EC50: 6.22 μM) .
Smiles
O(C)C1=C(C=2N(N=C(C(N[C@@H](CCC3CCCCC3)CC(O)=O)=O)C2)C4=CC=C(F)C=C4)C(OC)=CC=C1
Molecular Formula
C29H34FN3O5
Molecular Weight
523.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

APJ receptor agonist 6
CAS Number1965244-85-2
PubChem CID127051280
IUPAC Name(3S)-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]pentanoic acid
Molecular FormulaC29H34FN3O5
Molecular Weight523.6
XLogP6.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity746
SMILES
COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3=CC=C(C=C3)F)C(=O)N[C@@H](CCC4CCCCC4)CC(=O)O
InChI
InChI=1S/C29H34FN3O5/c1-37-25-9-6-10-26(38-2)28(25)24-18-23(32-33(24)22-15-12-20(30)13-16-22)29(36)31-21(17-27(34)35)14-11-19-7-4-3-5-8-19/h6,9-10,12-13,15-16,18-19,21H,3-5,7-8,11,14,17H2,1-2H3,(H,31,36)(H,34,35)/t21-/m0/s1
InChIKey
CPULTTQFADDSLA-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of APJ receptor agonist 6
CAS: 1965244-85-2
CID: 127051280
Formula: C29H34FN3O5
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass523.24824936
Monoisotopic Mass523.24824936
Topological Polar Surface Area103 Ų
Heavy Atom Count38
Formal Charge0
Complexity746
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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