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· · COA & SDS available for every product · Same-day shipping on in-stock items Decoglurant - ≥98% , Metabotropic glutamate receptor 3 modulator, CAS No.911115-16-7, Metabotropic glutamate receptor 3 modulator
Synonyms
Decoglurant|Ro 4995819|2-PYRIDINAMINE, 5-((7-(TRIFLUOROMETHYL)-5-(4-(TRIFLUOROMETHYL)PHENYL)PYRAZOLO(1,5-A)PYRIMIDIN-3-YL)ETHYNYL)-|5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine|Decogluran|5-((7-(Trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)ethynyl)pyridin-2-amine|DECOGLURANT [USAN]|5-[7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-pyridin-2-ylamine|Decoglurant [INN]|RO-4995819|Decoglurant (USAN/INN)|2-PYRIDINAMINE, 5-(2-(7-(TRIFLUOROMETHYL)-5-(4-(TRIFLUOROMETHYL)PHENYL)PYRAZOLO(1,5-A)PYRIMIDIN-3-YL)ETHYNYL)-|5-(2-(7-(Trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)ethynyl)pyridin-2-amine|RO4995819|5-(2-{7-(Trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}ethynyl)pyridin-2-amine|DECOGLURANT [WHO-DD]|Decoglurant [USAN:INN]
Shipped In
Ice chest + Ice pads
Overview Decoglurant (RO4995819) is a negative allosteric modulator of mGluR2 and mGluR3 . Decoglurant is developed as an antidepressant
Form:Solid
IC50& Target:mGluR2 mGluR3
Specifications Synonyms
Decoglurant | Ro 4995819 | 2-PYRIDINAMINE, 5-((7-(TRIFLUOROMETHYL)-5-(4-(TRIFLUOROMETHYL)PHENYL)PYRAZOLO(1,5-A)PYRIMIDIN-3-YL)ETHYNYL)- | 5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine | Decogluran | 5-((7-(Trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidin- Show more
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Decoglurant (RO4995819) is a negative allosteric modulator of mGluR2 and mGluR3 . Decoglurant is developed as an antidepressant.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Metabotropic glutamate receptor 3 modulator
Product Properties Names and Identifiers Canonical 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
IUPAC Name
5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine
InChIKey
DMJHZVARRXJSEG-UHFFFAOYSA-N
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)
Isomeric 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
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Not available Direct Parent Phenylpyrimidines Alternative Parents Trifluoromethylbenzenes Pyrazolo[1,5-a]pyrimidines Aminopyridines and derivatives Imidolactams Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents 4-phenylpyrimidine - Trifluoromethylbenzene - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Primary amine - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO : 250 mg/mL (558.86 mM; Need ultrasonic) Molecular Weight 447.300 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 3 Exact Mass 447.092 Da Monoisotopic Mass 447.092 Da Topological Polar Surface Area 69.100 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 720.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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