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

CAS: 29553-70-6 Cat. No.: C649381 분자식: C₁₄H₉NO₆ 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥99%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

• 정식 스마일: 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)
• 이성체 SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC(=NC=C2C(=O)O)C(=O)O
• PubChem CID: 893698
• 분자량: 287.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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