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Merck
CN

PZ0293

Sigma-Aldrich

GRN-529

≥97% (HPLC)

Synonym(s):

[4-(Difluoromethoxy)-3-[2-(2-pyridinyl)ethynyl]phenyl](5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-methanone

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About This Item

Empirical Formula (Hill Notation):
C22H15F2N3O2
CAS Number:
1253291-12-1
Molecular Weight:
391.37
MDL number:
MFCD28160551
UNSPSC Code:
12352200
PubChem Substance ID:
329823817

Key Documents

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Assay

≥97% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 5 mg/mL, clear (warmed)

storage temp.

room temp

SMILES string

FC(F)OC1=C(C#CC2=NC=CC=C2)C=C(C(N3CC(N=CC=C4)=C4C3)=O)C=C1

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

InChI key

JITMSIRHBAVREW-UHFFFAOYSA-N

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 Code

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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Certificates of Analysis (COA)

Lot/Batch Number
095M4740V

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