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EP2 receptor antagonist-3

CAT: 0804-HY-176293-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-176293-01Size:5 mg
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Description
EP2 receptor antagonist-3 is a selective EP2 receptor antagonist (IC50: 8 nM in hEP2 SPA assay, 50 nM in hEP2 cAMP assay) . EP2 receptor antagonist-3 increases the macrophage-mediated clearance of Amyloid-β plaques. EP2 receptor antagonist-3 can be used for the study of alzheimer’s diseases[1].
CAS Number
1799626-16-6
UNSPSC
12352005
Target
Amyloid-β; Prostaglandin Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Purity
99.08
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C=C(CN2CC3=CC(N4C=CC5=C4C=CC(F)=C5)=CC(Cl)=C3OCC2)C=CN1
Molecular Formula
C23H19ClFN3O2
Molecular Weight
423.87
References & Citations
[1]Fox BM, et al. A selective prostaglandin E2 receptor subtype 2 (EP2) antagonist increases the macrophage-mediated clearance of amyloid-beta plaques. J Med Chem. 2015 Jul 9;58 (13) :5256-73.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-((9-chloro-7-(5-fluoro-1H-indol-1-yl)-2,3-dihydrobenzo(f)(1,4)oxazepin-4(5H)-yl)methyl)pyridin-2(1H)-one

a prostaglandin E2 receptor subtype 2 antagonist; structure in first source

CAS Number1799626-16-6
PubChem CID56927669
IUPAC Name4-[[9-chloro-7-(5-fluoroindol-1-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]-1H-pyridin-2-one
Molecular FormulaC23H19ClFN3O2
Molecular Weight423.9
XLogP3.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity717
SMILES
C1COC2=C(CN1CC3=CC(=O)NC=C3)C=C(C=C2Cl)N4C=CC5=C4C=CC(=C5)F
InChI
InChI=1S/C23H19ClFN3O2/c24-20-12-19(28-6-4-16-10-18(25)1-2-21(16)28)11-17-14-27(7-8-30-23(17)20)13-15-3-5-26-22(29)9-15/h1-6,9-12H,7-8,13-14H2,(H,26,29)
InChIKey
JCMBXRJQNVPHIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((9-chloro-7-(5-fluoro-1H-indol-1-yl)-2,3-dihydrobenzo(f)(1,4)oxazepin-4(5H)-yl)methyl)pyridin-2(1H)-one
CAS: 1799626-16-6
CID: 56927669
Formula: C23H19ClFN3O2
MW: 423.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.9
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass423.1149827
Monoisotopic Mass423.1149827
Topological Polar Surface Area46.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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