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Basimglurant

CAT: 1410-M22362-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M22362-01Size:5 mg
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Description
Basimglurant is a potent, selective and orally available modulator of mGlu5 negative allosteric (Kd of 1.1 nM) . In competition binding experiments on human recombinant mGlu5, Basimglurant (RG7090) fully displaces [3H]-MPEP with a Ki of 35.6 nM and [3H]-ABP688 with a Ki of 1.4 nM. In HEK293 cells stably expressing human mGlu5, Basimglurant (RG7090) inhibits quisqualate induced Ca2+ mobilization with an IC50 of 7.0 nM and [3H]-inositolphosphate accumulation (IC50 of 5.9 nM) .
CAS Number
802906-73-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
325.77
Molecular Formula
C18H13ClFN3
Notes
Research use only, not for human use.
Receptor
MGlu5

Chemical Information

Basimglurant

Basimglurant has been used in trials studying the diagnostic and treatment of Depression, Fragile X Syndrome, and Major Depressive Disorder.

CAS Number802906-73-6
PubChem CID11438771
IUPAC Name2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine
Molecular FormulaC18H13ClFN3
Molecular Weight325.8
XLogP4.5
Topological Polar Surface Area30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity465
SMILES
CC1=C(N=C(N1C2=CC=C(C=C2)F)C)C#CC3=CC(=NC=C3)Cl
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
Chemical Structure
2D Structure
2D structure of Basimglurant
CAS: 802906-73-6
CID: 11438771
Formula: C18H13ClFN3
MW: 325.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.8
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass325.0782033
Monoisotopic Mass325.0782033
Topological Polar Surface Area30.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-15446-01Basimglurant
A21225-50Basimglurant 50mg
A21225-200Basimglurant 200mg
A21225-100Basimglurant 100mg
A21225-10Basimglurant 10mg
A21225-5Basimglurant 5mg
HY-15446R-01Basimglurant (Standard)
A21225-25Basimglurant 25mg
A21225-1Basimglurant 1mg
A21225-10mM-DBasimglurant 10mM * 1mL in DMSO

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