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Chemical structure of MK-3207 HCl

GC11192

MK-3207 HCl

Also known as 2-[(8R)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide;hydrochloride

MK-3207 (Hydrochloride) is a potent and orally bioavailable CGRP receptor antagonist with IC50 of 0·12 nM and Ki of 0·024 nM, and is highly selective versus human AM1, AM2, CTR, and AMY3

ChemicalCAS957116-20-0MW594.05FormulaC31H30ClF2N5O3
CAS number
957116-20-0
Molecular weight
594.05
Formula
C31H30ClF2N5O3
Solubility
DMSO ： ≥ 100 mg/mL (168·34 mM); H2O ： 50 mg/mL (84·17 mM; Need ultrasonic)
InChIKey
VWKNXYACOMQRBX-KZCKSIIFSA-N
Catalogue number
GC11192
Brand
GLPBIO
Computed properties PubChem CID 49867927 · TPSA 103 Ų · H-bond donors 4 · H-bond acceptors 7
TPSA
103 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
42

SMILES C1CCC2(C1)C(=O)N([C@@H](CN2)C3=CC(=CC(=C3)F)F)CC(=O)NC4=CC5=C(C[C@@]6(C5)C7=C(NC6=O)N=CC=C7)C=C4.Cl

Computed descriptors from PubChem (CID 49867927), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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