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

CAS: 1246086-78-1 Cat. No.: V129537 Fórmula: C₁₈H₁₃Cl₂N₃O₃S Peso molecular: 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

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

O VU 0364439 é um modulador alostérico positivo (PAM) do mGlu4, com EC50 de 19,8 nM.
um modulador alostérico positivo (PAM) do mGluR-4

Specifications

Sinónimos

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-

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Modulador alostérico positivo (PAM) dos receptores mGlu4 (EC50= 19,8 nMin vitro para mGlu4 humano).

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504770879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770879
• Sorrisos canónicos: 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)
• SMILES isoméricas: 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
• Peso molecular: 422.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 42.23, Max Conc. mM: 100
• Peso molecular: 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