EST73502 monohydrochloride

• CAT Number: I045348
• CAS Number: 2535970-65-9
• Molecular Formula: C19H27ClF2N2O2
• Molecular Weight: 388.88
• Purity: ≥95%
• Synonyms: (2R)-9-[2-(2,5-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
• InChI: InChI=1S/C19H26F2N2O2.ClH/c1-3-23-13-19(25-14(2)18(23)24)7-10-22(11-8-19)9-6-15-12-16(20)4-5-17(15)21;/h4-5,12,14H,3,6-11,13H2,1-2H3;1H/t14-;/m1./s1
• InChIKey: WZJJIHSIBMZUIN-PFEQFJNWSA-N
• SMILES: CCN1CC2(CCN(CC2)CCC3=C(C=CC(=C3)F)F)OC(C1=O)C.Cl

EST73502 monohydrochloride is a selective, orally active and blood-brain barrier (BBB) penetrant dual μ-opioid receptor (MOR) agonist and σ1 receptor (σ1R) antagonist, with Kis of 64 nM and 118 nM for MOR and σ1R, respectively. EST73502 monohydrochloride has antinociceptive activity[1].
EST73502 monohydrochloride (10-40 mg/kg; p.o.) shows a dose-response analgesic effect reaching a maximum of 64% and an EC50 of 14 mg/kg in the paw pressure test in CD1 male mice[1].
EST73502 monohydrochloride (5 mg/kg; i.p.; twice a day; for 10 days) attenuates partial sciatic nerve ligation (PSNL)-induced mechanical allodynia in male CD1 mice[1].

Reference

[1]. Mónica García, et al. Discovery of EST73502, a Dual μ-Opioid Receptor Agonist and σ 1 Receptor Antagonist Clinical Candidate for the Treatment of Pain. J Med Chem. 2020 Oct 16.
 [Content Brief]