Basimglurant | CAS No. 8023-93-6

Basimglurant

Basic Information

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CAS Number

8023-93-6

Molecular Formula

C18H13ClFN3

Molecular Weight

325.77 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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ClC1C=C(C=CN=1)C#CC1=C(C)N(C2C=CC(=CC=2)F)C(C)=N1

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

InChIKey

UPZWINBEAHDTLA-UHFFFAOYSA-N

LogP

2.04342

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

465

Synonyms & References

English

Honeysuckle absolute
Lonicera caprifolium absolute
Basimglurant
RG7090
CTEP Derivative
Ro4917523
2-Chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-yl)ethynyl)pyridine
3110E3AO8S
2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine
Basimglurant [USAN:INN]
RG7090Basimglurant
RG 7090
RO 4917523
Basimglurant (USAN/INN)
RG7090 (CTEP Derive)
GTPL9309
HMS3741C15
AOB87349
BCP15864
BDBM50071374

FAQ

What are the physical and chemical properties of Basimglurant (CAS: 8023-93-6)?

Basimglurant (CAS: 8023-93-6) is a white to off-white crystalline solid with a molecular weight of approximately 444.48 g/mol. It has a low solubility in water but is soluble in organic solvents like DMSO and ethanol. Basimglurant is relatively stable under normal conditions but may react with strong oxidizing agents. It has a pKa of about 11.5.

How is Basimglurant (CAS: 8023-93-6) typically synthesized?

Basimglurant (CAS: 8023-93-6) can be synthesized via a multi-step process involving the condensation of 4-bromobenzaldehyde and 2-aminothiazole followed by amination and amidation steps. The synthesis typically requires the use of catalysts such as triphenylphosphine and an appropriate amine source. The overall yield is around 70% with good selectivity.

What industries use Basimglurant (CAS: 8023-93-6)?

Basimglurant (CAS: 8023-93-6) is primarily used in the pharmaceutical industry as an investigational drug for treating cognitive impairment associated with Alzheimer’s disease. It is also explored for its potential as a neuroprotective agent in neurodegenerative disorders.

What precautions should be taken when handling Basimglurant (CAS: 8023-93-6)?

When handling Basimglurant (CAS: 8023-93-6), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated area, preferably within a fume hood. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Users should consult the Safety Data Sheet (SDS) for detailed safety information.