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Chemical structure of GNE 0723

GC31270

GNE 0723

Also known as cis-(1R,2R)-2-[7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile

GNE 0723 is a brain permeable positive allosteric modulator of NMDAR, with an EC50 of 21 nM for GluN2A, 7·4 and 6·2 μM for GluN2C and GluN2D, respectively

ChemicalCAS1883518-31-7MW467.78FormulaC16H8ClF6N5OS
CAS number
1883518-31-7
Molecular weight
467.78
Formula
C16H8ClF6N5OS
Solubility
DMSO ： 190 mg/mL (406·17 mM; Need ultrasonic)
InChIKey
FTIBNGABJNFFAI-POYBYMJQSA-N
Catalogue number
GC31270
Brand
GLPBIO
Computed properties PubChem CID 127046129 · XLogP 2.8 · TPSA 99.6 Ų · H-bond donors 0
XLogP
2.8
TPSA
99.6 Ų
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
3
Heavy atoms
30

SMILES C1[C@H]([C@@H]1C2=C(SC3=NC(=CC(=O)N23)CN4C(=CC(=N4)C(F)(F)F)Cl)C(F)(F)F)C#N

Computed descriptors from PubChem (CID 127046129), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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