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APJ receptor agonist 7

CAT: 0931-T64305-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T64305-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2100850-28-8
Target
Others
Related Pathways
Others
Bioactivity
APJ receptor agonist 7 (compound 37) is an orally active apelin receptor (APJ) agonist with a Ki of 0.059 μM and an arrestin EC50 of 0.063 μM.
Smiles
O(C)C1=C(C=2N(N=C(C(N[C@@H](CCC3CCCCC3)CC(NC4CCC4)=O)=O)C2)C5CCCC5)C(OC)=CC=C1
Molecular Formula
C32H46N4O4
Molecular Weight
550.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

APJ receptor agonist 7
CAS Number2100850-28-8
PubChem CID129204709
IUPAC NameN-[(3S)-1-(cyclobutylamino)-5-cyclohexyl-1-oxopentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
Molecular FormulaC32H46N4O4
Molecular Weight550.7
XLogP6.3
Topological Polar Surface Area94.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count40
Formal Charge0
Complexity799
SMILES
COC1=C(C(=CC=C1)OC)C2=CC(=NN2C3CCCC3)C(=O)N[C@@H](CCC4CCCCC4)CC(=O)NC5CCC5
InChI
InChI=1S/C32H46N4O4/c1-39-28-16-9-17-29(40-2)31(28)27-21-26(35-36(27)25-14-6-7-15-25)32(38)34-24(19-18-22-10-4-3-5-11-22)20-30(37)33-23-12-8-13-23/h9,16-17,21-25H,3-8,10-15,18-20H2,1-2H3,(H,33,37)(H,34,38)/t24-/m0/s1
InChIKey
LOYFGOQECXZGSS-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of APJ receptor agonist 7
CAS: 2100850-28-8
CID: 129204709
Formula: C32H46N4O4
MW: 550.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.7
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass550.35190596
Monoisotopic Mass550.35190596
Topological Polar Surface Area94.5 Ų
Heavy Atom Count40
Formal Charge0
Complexity799
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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