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

CAS: 1246086-78-1 Cat. No.: V129537 Formule: C₁₈H₁₃Cl₂N₃O₃S Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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-

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504770879
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770879
• Sourires canoniques: 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)
• Isomères 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
• Poids moléculaire: 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
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 42.23, Max Conc. mM: 100
• Poids moléculaire: 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