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Chemical structure of EP2 receptor antagonist-1

GC65317

EP2 receptor antagonist-1

Also known as oxolan-2-ylmethyl 2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

EP2 receptor antagonist-1 (compound 1) is a potent, reversible, and agonist dependent allosteric prostaglandin EP2 receptor antagonist

ChemicalCAS848920-08-1MW446.46FormulaC24H22N4O5
CAS number
848920-08-1
Molecular weight
446.46
Formula
C24H22N4O5
Solubility
DMSO : 100 mg/mL (223·98 mM; Need ultrasonic)
InChIKey
OHXALKVNKANGKL-UHFFFAOYSA-N
Catalogue number
GC65317
Brand
GLPBIO
Computed properties PubChem CID 664888 · XLogP 3.5 · TPSA 111 Ų · H-bond donors 1
XLogP
3.5
TPSA
111 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33

SMILES C1CC(OC1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC6=C(C=C5)OCCO6)N

Computed descriptors from PubChem (CID 664888), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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