VU 0422288 - Moligand™, ≥98%(HPLC) , Allosteric modulator of mGlu 8 receptor, CAS No.1630936-95-6, Allosteric modulator of mGlu 8 receptor

CAS: 1630936-95-6 Cat. No.: V287914 Molecular Weight: 360.19 PubChem CID: 73058507

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

ML 396 | N-[3-Chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinecarboxamide | ML396 | N-(3-Chloro-4-((5-chloropyridin-2-yl)oxy)phenyl)picolinamide | VU0422288

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

ML 396 | N-[3-Chloro-4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-pyridinecarboxamide | ML396 | N-(3-Chloro-4-((5-chloropyridin-2-yl)oxy)phenyl)picolinamide | VU0422288

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Group III mGlu receptor positive allosteric modulator (EC50values are 108, 125 and 146 nM for mGlu4, mGlu8and mGlu7respectively). Exhibits selectivity over a panel of 68 other GPCRs, ion channels and transporters. Potentiates mGlu7-mediated reductions in

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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 8 receptor

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488202331
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202331
• Canonical Smiles: C1=CC=NC(=C1)C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=C3)Cl)Cl
• IUPAC Name: N-[3-chloro-4-(5-chloropyridin-2-yl)oxyphenyl]pyridine-2-carboxamide
• InChIKey: MZRLPXFGQKQHST-UHFFFAOYSA-N
• INCHI: 1S/C17H11Cl2N3O2/c18-11-4-7-16(21-10-11)24-15-6-5-12(9-13(15)19)22-17(23)14-3-1-2-8-20-14/h1-10H,(H,22,23)
• Isomeric SMILES: C1=CC=NC(=C1)C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=C3)Cl)Cl
• PubChem CID: 73058507
• Molecular Weight: 360.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Diarylethers Pyridinecarboxamides Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Diaryl ether - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - 2-heteroaryl carboxamide - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

GRM8 Tchem Metabotropic glutamate receptor 8 (1 Activities)

Discover Target: GRM8

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

GRM4 Tchem Metabotropic glutamate receptor 4 (2320 Activities)

Discover Target: GRM4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Grm8 Metabotropic glutamate receptor 8 (169 Activities)

Discover Target: Grm8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Grm7 Metabotropic glutamate receptor 7 (580 Activities)

Discover Target: Grm7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 36.02, Max Conc. mM: 100
• Molecular Weight: 360.200 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 359.023 Da
• Monoisotopic Mass: 359.023 Da
• Topological Polar Surface Area: 64.099 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 427.000
• 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