4-CPPC - Moligand™, ≥99% , CAS No.29553-70-6

CAS: 29553-70-6 Cat. No.: C649381 Formule: C₁₄H₉NO₆ Poids moléculaire: 287.22 PubChem CID: 893698

GRADE & PURITY Moligand™, ≥99%

Synonyms

4-(3-Carboxyphenyl)pyridine-2,5-dicarboxylic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

4-CPPC is a potent, reversible and selective MIF-2 inhibitor with K i values of 431, 33 µM for MIF-1, MIF-2, respectively

Form:Solid

IC50& Target:K i : 431 µM (MIF-1),33 µM (MIF-2)

Specifications

Synonymes

4-(3-Carboxyphenyl)pyridine-2,5-dicarboxylic acid

Spécifications et pureté

Moligand™, ≥99%

Mécanismes biochimiques et physiologiques

4-CPPC is a potent, reversible and selective MIF-2 inhibitor with Ki values of 431, 33 µM for MIF-1, MIF-2, respectively.

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.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: C1=CC(=CC(=C1)C(=O)O)C2=CC(=NC=C2C(=O)O)C(=O)O
• IUPAC Name: 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid
• InChIKey: NBVHLJGGHJLTGM-UHFFFAOYSA-N
• INCHI: 1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21)
• Isomères SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC(=NC=C2C(=O)O)C(=O)O
• PubChem CID: 893698
• Poids moléculaire: 287.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Tricarboxylic acids and derivatives Pyridinecarboxylic acids Benzoic acids Benzoyl derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyridine - Benzoic acid or derivatives - Benzoic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 287.220 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 287.043 Da
• Monoisotopic Mass: 287.043 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 437.000
• 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