ChemicalBook--->CAS DataBase List--->802906-73-6

802906-73-6

802906-73-6 Structure

802906-73-6 Structure
IdentificationBack Directory
[Name]

CTEP Derivative
[CAS]

802906-73-6
[Synonyms]

RG7090
RG-7090
RG 7090
RO 491752)
Ro 4917523
BasiMglurant
CTEP Derivative
RG7090(Basimglurant)
Basimglurant sulfate (RG 7090
BASIMGLURANT; RG 7090; RG-7090; CTEP DERIVATIVE
2-Chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-yl)ethynyl)pyridine
2-Chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-yl]ethynyl]pyridine
Pyridine, 2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-yl]ethynyl]-
[Molecular Formula]

C18H13ClFN3
[MDL Number]

MFCD25976719
[MOL File]

802906-73-6.mol
[Molecular Weight]

325.77
Chemical PropertiesBack Directory
[Melting point ]

132 - 135°C
[Boiling point ]

526.6±60.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

5.27±0.70(Predicted)
[color ]

Pale Brown to Light Brown
[Stability:]

Hygroscopic, Moisture Sensitive
[InChI]

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
[SMILES]

C1(Cl)=NC=CC(C#CC2=C(C)N(C3=CC=C(F)C=C3)C(C)=N2)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H320-H335
[Precautionary statements ]

P264-P270-P301+P312-P330
Hazard InformationBack Directory
[Uses]

Basimglurant is a potent, selective and orally available mGlu5 negative allosteric modulator for the treatment of mood disorders.
[in vivo]

Basimglurant (RG7090) is a potent, selective, and safe mGlu5 inhibitor with good oral bioavailability and long half-life supportive of once-daily administration, good brain penetration, and high in vivo potency. It has antidepressant properties which are corroborated by its functional magnetic imaging (fMRI) profile, as well as anxiolytic-like and antinociceptive features[1]. It is currently in phase II clinical studies for the treatment of depression and fragile X syndrome. In the Vogel conflict drinking test, Basimglurant dose dependently increases the drinking time. The total plasma exposure of efficacious doses of Basimglurant (RG7090) ranges from 5 ng/mL (0.03 mg/kg) to 37 ng/mL (0.3 mg/kg)[2].

[IC 50]

mGlu5 Receptor: 1.1 nM (Kd)
Spectrum DetailBack Directory
[Spectrum Detail]

CTEP Derivative(802906-73-6)1HNMR
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