VU 0364439 - ≥98% , CAS No.1246086-78-1

CAS: 1246086-78-1 Cat. No.: V129537 Molecular Weight: 422.29 PubChem CID: 46934289

GRADE & PURITY ≥98%

Synonyms

VU0364439 | VU-0364439 | AC-32760 | EX-A152 | Tox21_500841 | HMS3886H04 | CCG-268907 | SB19523 | SW219845-1 | N-[3-Chloro-4-[[(2-chlorophenyl)amino]sulfonyl]phenyl]-2-pyridinecarboxamide | AKOS024458121 | s8035 | WZB08678 | AE-562/43450611 | AS-16957 | N-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

VU 0364439 is a mGlu4 positive allosteric modulator (PAM), with EC50 of 19.8 nM.
a positive allosteric modulator (PAM) of mGluR-4

Specifications

Synonyms

VU0364439 | VU-0364439 | AC-32760 | EX-A152 | Tox21_500841 | HMS3886H04 | CCG-268907 | SB19523 | SW219845-1 | N-[3-Chloro-4-[[(2-chlorophenyl)amino]sulfonyl]phenyl]-2-pyridinecarboxamide | AKOS024458121 | s8035 | WZB08678 | AE-562/43450611 | AS-16957 | N-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Positive allosteric modulator (PAM) of mGlu4receptors (EC50= 19.8 nMin vitrofor human mGlu4).

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770879
• Canonical Smiles: C1=CC=C(C(=C1)NS(=O)(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl)Cl
• IUPAC Name: N-[3-chloro-4-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
• InChIKey: IXHCGJXBIHHIEF-UHFFFAOYSA-N
• INCHI: 1S/C18H13Cl2N3O3S/c19-13-5-1-2-6-15(13)23-27(25,26)17-9-8-12(11-14(17)20)22-18(24)16-7-3-4-10-21-16/h1-11,23H,(H,22,24)
• Isomeric SMILES: C1=CC=C(C(=C1)NS(=O)(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl)Cl
• PubChem CID: 46934289
• Molecular Weight: 422.29

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: Sulfanilides Benzenesulfonamides Pyridinecarboxamides Benzenesulfonyl compounds 2-heteroaryl carboxamides Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Benzenesulfonamide - Sulfanilide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Benzenesulfonyl group - 2-heteroaryl carboxamide - Halobenzene - Chlorobenzene - Aryl chloride - Organosulfonic acid amide - Pyridine - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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)

GRM4 Tchem Metabotropic glutamate receptor 4 (4 Activities)

Discover Target: GRM4

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

Liver microsomes (16955 Activities)

Explore this target

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plasma (328 Activities)

Explore this target

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: 42.23, Max Conc. mM: 100
• Molecular Weight: 422.300 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 421.005 Da
• Monoisotopic Mass: 421.005 Da
• Topological Polar Surface Area: 96.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 613.000
• 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