GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

3-[(3R)-3-Methyl-4-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-1-piperazinyl]-2-pyridinecarbonitrile hydrochloride

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

3-[(3R)-3-Methyl-4-(tricyclo[3.3.1.13, 7]dec-1-ylcarbonyl)-1-piperazinyl]-2-pyridinecarbonitrile hydrochloride

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective negative allosteric modulator of mGlu1(IC50= 99 nM). Exhibits >100-fold selectivity for mGlu1over mGlu2-8and 68 other GPCRs, ion channels, kinases and transporters. Brain penetrant.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of mGlu 1 receptor

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CC1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C5=C(N=CC=C5)C#N.Cl
• IUPAC Name: 3-[(3R)-4-(adamantane-1-carbonyl)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile;hydrochloride
• InChIKey: YENVAZRENOYZGQ-GUIQYPADSA-N
• INCHI: 1S/C22H28N4O.ClH/c1-15-14-25(20-3-2-4-24-19(20)13-23)5-6-26(15)21(27)22-10-16-7-17(11-22)9-18(8-16)12-22;/h2-4,15-18H,5-12,14H2,1H3;1H/t15-,16?,17?,18?,22?;/m1./s1
• Isomeric SMILES: C[C@@H]1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)C5=C(N=CC=C5)C#N.Cl
• PubChem CID: 71680759
• Molecular Weight: 400.94

Associated Targets(Human)

GRM1 Tchem Metabotropic glutamate receptor 1 (1 Activities)

Discover Target: GRM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 40.09, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 20.05, Max Conc. mM: 50