GRN-529
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 531863

CAS#: 1253291-12-1

Description: GRN-529 is a selective negative allosteric modulator of the mGluR5 receptor.

Chemical Structure

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GRN-529
CAS# 1253291-12-1
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 531863
Name: GRN-529
CAS#: 1253291-12-1
Chemical Formula: C22H15F2N3O2
Exact Mass: 391.11
Molecular Weight: 391.378
Elemental Analysis: C, 67.52; H, 3.86; F, 9.71; N, 10.74; O, 8.18

Price and Availability

Size Price Availability Quantity
10mg USD 280 2 Weeks
25mg USD 500 2 Weeks
50mg USD 850 2 Weeks
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Synonym: GRN-529; GRN 529; GRN529.

IUPAC/Chemical Name: (4-Difluoromethoxy-3-pyridin-2-ylethynyl-phenyl)-(5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-methanone

InChi Key: JITMSIRHBAVREW-UHFFFAOYSA-N

InChi Code: 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 Code: O=C(C1=CC=C(OC(F)F)C(C#CC2=NC=CC=C2)=C1)N3CC4=NC=CC=C4C3

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: GRN-529 is a selective negative allosteric modulator of the mGluR5 receptor.
In vitro activity: TBD
In vivo activity: Further, during the freely moving, dyadic reciprocal interaction task, BTBR mice treated with vehicle engaged in much longer bouts of self-grooming and repetitive digging than did B6 mice (Fig. 4, E to H). Acute administration of GRN-529 significantly reduced these spontaneous repetitive behaviors within a social context (Fig. 4, F and H). Reference: Sci Transl Med. 2012 Apr 25;4(131):131ra51. https://pubmed.ncbi.nlm.nih.gov/22539775/

Preparing Stock Solutions

The following data is based on the product molecular weight 391.38 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Silverman JL, Smith DG, Rizzo SJ, Karras MN, Turner SM, Tolu SS, Bryce DK, Smith DL, Fonseca K, Ring RH, Crawley JN. Negative allosteric modulation of the mGluR5 receptor reduces repetitive behaviors and rescues social deficits in mouse models of autism. Sci Transl Med. 2012 Apr 25;4(131):131ra51. doi: 10.1126/scitranslmed.3003501. PMID: 22539775; PMCID: PMC4904784.
In vitro protocol: TBD
In vivo protocol: 1. Silverman JL, Smith DG, Rizzo SJ, Karras MN, Turner SM, Tolu SS, Bryce DK, Smith DL, Fonseca K, Ring RH, Crawley JN. Negative allosteric modulation of the mGluR5 receptor reduces repetitive behaviors and rescues social deficits in mouse models of autism. Sci Transl Med. 2012 Apr 25;4(131):131ra51. doi: 10.1126/scitranslmed.3003501. PMID: 22539775; PMCID: PMC4904784.

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1: Hughes ZA, Neal SJ, Smith DL, Sukoff Rizzo SJ, Pulicicchio CM, Lotarski S, Lu S, Dwyer JM, Brennan J, Olsen M, Bender CN, Kouranova E, Andree TH, Harrison JE, Whiteside GT, Springer D, O'Neil SV, Leonard SK, Schechter LE, Dunlop J, Rosenzweig-Lipson S, Ring RH. Negative allosteric modulation of metabotropic glutamate receptor 5 results in broad spectrum activity relevant to treatment resistant depression. Neuropharmacology. 2013 Mar;66:202-14. doi: 10.1016/j.neuropharm.2012.04.007. PubMed PMID: 22551786.