GRADE & PURITY ≥95%

Synonyms

(2R,3S,4S)-5-[4-(3,5-Dichlorophenyl)phenyl]-2,3-dihydroxy-4-(2-methoxyacetamido)pentanoic acid

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

CC0651 is an allosteric inhibitor of human Cdc34 ubiquitin binding enzyme. CC0651 inhibited ubiquitination of p27Kip1 with IC50 of 1.72 μM.

Specifications

Synonyms

(2R, 3S, 4S)-5-[4-(3, 5-Dichlorophenyl)phenyl]-2, 3-dihydroxy-4-(2-methoxyacetamido)pentanoic acid

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

Allosteric inhibitor of human Cdc34. Inhibits hCdc34-mediated ubiquitination of p27Kip1(IC50= 1.72μM). Exhibits selectivity for hCdc34 over Uba1, Ube2G1, UbcH7, UbcH5, Ube2N (Ubc13), Ube2R2, SMURF2, SspH1 and Rnf168.

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COCC(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl)C(C(C(=O)O)O)O
• IUPAC Name: (2R,3S,4S)-5-[4-(3,5-dichlorophenyl)phenyl]-2,3-dihydroxy-4-[(2-methoxyacetyl)amino]pentanoic acid
• InChIKey: NTCBTNCWNRCBGX-YTQUADARSA-N
• INCHI: 1S/C20H21Cl2NO6/c1-29-10-17(24)23-16(18(25)19(26)20(27)28)6-11-2-4-12(5-3-11)13-7-14(21)9-15(22)8-13/h2-5,7-9,16,18-19,25-26H,6,10H2,1H3,(H,23,24)(H,27,28)/t16-,18-,19+/m0/s1
• Isomeric SMILES: COCC(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O
• Molecular Weight: 442.29
• Reaxy-Rn: 23518044
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23518044&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Level5 Chlorinated biphenyls
          • Level6 Polychlorinated biphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Chlorinated biphenyls
• Direct Parent: Polychlorinated biphenyls
• Alternative Parents: Gamma amino acids and derivatives Amphetamines and derivatives Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Dichlorobenzenes Beta hydroxy acids and derivatives Hydroxy fatty acids Halogenated fatty acids Alpha hydroxy acids and derivatives Monosaccharides Aryl chlorides 1,2-diols Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Polychlorinated biphenyl - Gamma amino acid or derivatives - Amphetamine or derivatives - Medium-chain hydroxy acid - 1,3-dichlorobenzene - Medium-chain fatty acid - Beta-hydroxy acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Hydroxy fatty acid - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Fatty acyl - Fatty acid - Hydroxy acid - Monosaccharide - 1,2-diol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organochloride - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:1eq. NaOH, Max Conc. mg/mL: 44.23, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 44.23, Max Conc. mM: 100
• Sensitivity: light sensitive
• Molecular Weight: 442.300 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 441.075 Da
• Monoisotopic Mass: 441.075 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 533.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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