Basimglurant

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MedKoo CAT#: 510333

CAS#: 1034442-21-1 (free base)

Description: Basimglurant, also known as RO 4917523 and RG-7090, is a novel mGlu5 negative allosteric modulator currently in Phase 2 clinical development for MDD and Fragile X syndrome (FXS). Basimglurant is a promising novel medicine for psychiatric diseases. Basimglurant has favorable drug-like properties, a differentiated molecular mechanism of action, and antidepressant-like features which suggest the possibility of also addressing important comorbidities of MDD including anxiety and pain as well as daytime sleepiness and apathy or lethargy.


Chemical Structure

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Basimglurant
CAS# 1034442-21-1 (free base)

Theoretical Analysis

MedKoo Cat#: 510333
Name: Basimglurant
CAS#: 1034442-21-1 (free base)
Chemical Formula: C18H13ClFN3
Exact Mass: 325.0782
Molecular Weight: 325.77
Elemental Analysis: C, 66.36; H, 4.02; Cl, 10.88; F, 5.83; N, 12.90

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Related CAS #: 802906-73-6 (Sulfate)   1034442-21-1 (free base)    

Synonym: RG-7090; RG 7090; RG7090; RO4917523; RO 4917523; RO-4917523; Basimglurant

IUPAC/Chemical Name: 2-chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-yl)ethynyl)pyridine

InChi Key: UPZWINBEAHDTLA-UHFFFAOYSA-N

InChi Code: InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3

SMILES Code: CC1=C(C#CC2=CC(Cl)=NC=C2)N=C(C)N1C3=CC=C(F)C=C3

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, not in water

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

Preparing Stock Solutions

The following data is based on the product molecular weight 325.77 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

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1: Lindemann L, Porter RH, Scharf SH, Kuennecke B, Bruns A, von Kienlin M, Harrison AC, Paehler A, Funk C, Gloge A, Schneider M, Parrott NJ, Polonchuk L, Niederhauser U, Morairty SR, Kilduff TS, Vieira E, Kolczewski S, Wichmann J, Hartung T, Honer M, Borroni E, Moreau JL, Prinssen E, Spooren W, Wettstein JG, Jaeschke G. Pharmacology of basimglurant (RO4917523, RG7090), a unique mGlu5 negative allosteric modulator in clinical development for depression. J Pharmacol Exp Ther. 2015 Feb 9. pii: jpet.114.222463. [Epub ahead of print] PubMed PMID: 25665805.

2: Jaeschke G, Kolczewski S, Spooren W, Vieira E, Bitter-Stoll N, Boissin P, Borroni E, Büttelmann B, Ceccarelli S, Clemann N, David B, Funk C, Guba W, Harrison A, Hartung T, Honer M, Huwyler J, Kuratli M, Niederhauser U, Pähler A, Peters JU, Petersen A, Prinssen E, Ricci A, Rueher D, Rueher M, Schneider M, Spurr P, Stoll T, Tännler D, Wichmann J, Porter RH, Wettstein JG, Lindemann L. Metabotropic Glutamate Receptor 5 Negative Allosteric Modulators: Discovery of 2-Chloro-4-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-ylethynyl]pyridine (Basimglurant, RO4917523), a Promising Novel Medicine for Psychiatric Diseases. J Med Chem. 2015 Feb 12;58(3):1358-71. doi: 10.1021/jm501642c. Epub 2015 Feb 2. PubMed PMID: 25565255.

3: Dutta A, McKie S, Deakin JF. Ketamine and other potential glutamate antidepressants. Psychiatry Res. 2015 Jan 30;225(1-2):1-13. doi: 10.1016/j.psychres.2014.10.028. Epub 2014 Nov 13. PubMed PMID: 25467702.

4: Hashimoto K, Malchow B, Falkai P, Schmitt A. Glutamate modulators as potential therapeutic drugs in schizophrenia and affective disorders. Eur Arch Psychiatry Clin Neurosci. 2013 Aug;263(5):367-77. doi: 10.1007/s00406-013-0399-y. Epub 2013 Mar 1. Review. PubMed PMID: 23455590.



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