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Chemical structure of GNE 5729

GC31076

GNE 5729

Also known as cis-(1R,2R)-2-[7-chloro-2-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-4-oxopyrido[1,2-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile

GNE 5729 is a brain permeable positive allosteric modulator of NMDAR, with an EC50 of 37 nM for GluN2A, 4·7 and 9·5 μM for GluN2C and GluN2D, respectively

ChemicalCAS2026635-66-3MW428.2FormulaC17H10Cl2F3N5O
CAS number
2026635-66-3
Molecular weight
428.2
Formula
C17H10Cl2F3N5O
Solubility
DMSO ： 100 mg/mL (233·54 mM; Need ultrasonic)
InChIKey
GPMGDUIAVSFGGH-WCBMZHEXSA-N
Catalogue number
GC31076
Brand
GLPBIO
Computed properties PubChem CID 122630795 · XLogP 2.2 · TPSA 74.3 Ų · H-bond donors 0
XLogP
2.2
TPSA
74.3 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
28

SMILES C1[C@H]([C@@H]1C2=C(C=CC3=NC(=CC(=O)N32)CN4C(=CC(=N4)C(F)(F)F)Cl)Cl)C#N

Computed descriptors from PubChem (CID 122630795), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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