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About This Item
Empirical Formula (Hill Notation):
C22H15F2N3O2
CAS Number:
Molecular Weight:
391.37
UNSPSC Code:
12352200
PubChem Substance ID:
MDL number:
InChI
1S/C22H15F2N3O2/c23-22(24)29-20-9-7-16(12-15(20)6-8-18-5-1-2-10-25-18)21(28)27-13-17-4-3-11-26-19(17)14-27/h1-5,7,9-12,22H,13-14H2
SMILES string
FC(F)OC1=C(C#CC2=NC=CC=C2)C=C(C(N3CC(N=CC=C4)=C4C3)=O)C=C1
InChI key
JITMSIRHBAVREW-UHFFFAOYSA-N
assay
≥97% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 5 mg/mL, clear (warmed)
storage temp.
room temp
Biochem/physiol Actions
GRN-529 is a brain penetrant, potent and selective negative allosteric modulator of the mGluR5 receptor (metabotropic glutamate receptor subtype 5) with an IC50 of 3.1 nM and >1000-fold selectivity vs mGluR1. GRN-529 was shown to alleviate multiple diagnostic behavioral symptoms of autism in BTBR and C58 mice models.
Storage Class
6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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