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Ro 64-5229 - ≥99%(HPLC), high purity , CAS No.246852-46-0, Allosteric modulator of mGlu 2 receptor

COA COA
In stock
Item Number
R288543
Grouped product items
SKU Size
Availability
 Price Qty
R288543-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$211.90
R288543-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$862.90
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Selective, non-competitive mGlu2antagonist

View related series
Class C GPCR (248) GPCR/G Protein (3172) mGlu2 receptor Allosteric modulator (31) mGluR (176) Neuronal Signaling (3320)

Basic Description

Synonyms (Z)-1-[2-Cycloheptyloxy-2-(2,6-dichlorophenyl)ethenyl]-1H-1,2,4-triazole
Specifications & Purity Moligand™, ≥99%(HPLC)
Biochemical and Physiological Mechanisms Selective, non-competitive mGlu2antagonist. Inhibits GTPγ35S binding to mGlu2-containing membranes (IC50= 0.11μM).
Storage Temp 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 2 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Halobenzenes
Intermediate Tree Nodes Chlorobenzenes
Direct Parent Dichlorobenzenes
Alternative Parents Styrenes  Aryl chlorides  Triazoles  Heteroaromatic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents 1,3-dichlorobenzene - Styrene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors Not available

Associated Targets(Human)

GRM2 Tchem Metabotropic glutamate receptor 2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
GRM3 Tchem Metabotropic glutamate receptor 3 (732 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GRM4 Tchem Metabotropic glutamate receptor 4 (2320 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GRM1 Tchem Metabotropic glutamate receptor 1 (2309 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GRIN2C Tclin Glutamate [NMDA] receptor subunit epsilon 3 (47 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Grm2 Metabotropic glutamate receptor 2 (1326 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Gria2 Glutamate receptor ionotropic, AMPA (2103 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 1-[(Z)-2-cycloheptyloxy-2-(2,6-dichlorophenyl)ethenyl]-1,2,4-triazole
INCHI InChI=1S/C17H19Cl2N3O/c18-14-8-5-9-15(19)17(14)16(10-22-12-20-11-21-22)23-13-6-3-1-2-4-7-13/h5,8-13H,1-4,6-7H2/b16-10-
InChIKey STCVFKBRXOEQRF-YBEGLDIGSA-N
Smiles C1CCCC(CC1)OC(=CN2C=NC=N2)C3=C(C=CC=C3Cl)Cl
Isomeric SMILES C1CCCC(CC1)O/C(=C\N2C=NC=N2)/C3=C(C=CC=C3Cl)Cl
PubChem CID 10428048
Molecular Weight 352.26

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 35.23, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 35.23, Max Conc. mM: 100
Molecular Weight 352.300 g/mol
XLogP3 5.500
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 351.091 Da
Monoisotopic Mass 351.091 Da
Topological Polar Surface Area 39.900 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 389.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 1
Covalently-Bonded Unit Count 1

Solution Calculators

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