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Decoglurant

CAT: 0013-GTR19175389-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175389-02Size:5 mg
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Description
Decoglurant (RO4995819) is a negative allosteric modulator targeting metabotropic glutamate receptors 2 and 3 (mGluR2/3) . It has been investigated preclinically for its antidepressant potential, with studies exploring its effects in both in vitro receptor assays and in vivo behavioral models of depression.
CAS Number
911115-16-7
Product Name Alternative
NAM, mGluR, mGluR2, mGluR3, Metabotropic glutamate receptors, inhibit, Inhibitor, Decoglurant, antidepressant, RO4995819, RO-4995819, RO 4995819
Field of Research
Neuroscience
Purity
99.39% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (11.18 mM) ; DMSO:230 mg/mL (514.15 mM)
Smiles
Nc1ccc (cn1) C#Cc1cnn2c (cc (nc12) -c1ccc (cc1) C (F) (F) F) C (F) (F) F
Molecular Formula
C21H11F6N5
Molecular Weight
447.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Decoglurant

Decoglurant has been used in trials studying the treatment of Major Depressive Disorder.

CAS Number911115-16-7
PubChem CID71533696
IUPAC Name5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine
Molecular FormulaC21H11F6N5
Molecular Weight447.3
XLogP4.4
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity720
SMILES
C1=CC(=CC=C1C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C#CC4=CN=C(C=C4)N)C(F)(F)F
InChI
InChI=1S/C21H11F6N5/c22-20(23,24)15-6-4-13(5-7-15)16-9-17(21(25,26)27)32-19(31-16)14(11-30-32)3-1-12-2-8-18(28)29-10-12/h2,4-11H,(H2,28,29)
InChIKey
DMJHZVARRXJSEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Decoglurant
CAS: 911115-16-7
CID: 71533696
Formula: C21H11F6N5
MW: 447.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.3
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass447.09186434
Monoisotopic Mass447.09186434
Topological Polar Surface Area69.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity720
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
BA5573-25Decoglurant
MBS3611737-01Decoglurant(RO4995819)
M21765-01Decoglurant (RO4995819)

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