Kartogenin - 10mM in DMSO , CAS No.4727-31-5

CAS: 4727-31-5 Cat. No.: K424115 Formula: C₂₀H₁₅NO₃ Molecular Weight: 317.34 EC Number: 803-978-4

GRADE & PURITY 10mM in DMSO

Synonyms

2-([1,1'-Biphenyl]-4-ylcarbamoyl)benzoic acid | Maybridge3_004725 | SMR004703559 | 2-((4-Biphenylylamino)carbonyl)benzoic acid | Kartogenin | SCHEMBL1336628 | 2-((1,1'-Biphenyl)-4-ylcarbamoyl)benzoic acid | AC-31406 | Q27287128 | 2-((Biphenyl-4-yl)carbamo

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Kartogenin is an activator of the smad4/smad5 pathway, and promotes the selective differentiation of multipotent mesenchymal stem cells into chondrocytes.
An inducing factor of mesenchymal stem cells into chondrocytes

Specifications

Synonyms

2-([1,1'-Biphenyl]-4-ylcarbamoyl)benzoic acid | Maybridge3_004725 | SMR004703559 | 2-((4-Biphenylylamino)carbonyl)benzoic acid | Kartogenin | SCHEMBL1336628 | 2-((1,1'-Biphenyl)-4-ylcarbamoyl)benzoic acid | AC-31406 | Q27287128 | 2-((Biphenyl-4-yl)carbamo

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Kartogenin induces the selective differentiation of multipotent mesenchymal stem cells (MSCs) into chondrocytes. Kartogenin binds to filamin A, and disrupts the specific interaction between filamin A and CBFβ (core-binding factor β subunit). Apparently, k

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Names and Identifiers

Pubchem Sid

528765081

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528765081

Canonical Smiles

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

IUPAC Name

2-[(4-phenylphenyl)carbamoyl]benzoic acid

InChIKey

SLUINPGXGFUMLL-UHFFFAOYSA-N

INCHI

1S/C20H15NO3/c22-19(17-8-4-5-9-18(17)20(23)24)21-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,21,22)(H,23,24)

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

WGK Germany

3

Molecular Weight

317.34

Reaxy-Rn

14165011

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14165011&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Biphenyls and derivatives Benzoic acids Benzamides Benzoyl derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Biphenyl - Benzamide - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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(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

Mechanisms of Action

Chemical and Physical Properties

• x_melt_point_char: 278 °C
• Molecular Weight: 317.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 317.105 Da
• Monoisotopic Mass: 317.105 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 436.000
• 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