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CC 0651 - 95%, high purity , CAS No.1319207-44-7
Allosteric inhibitor of hCdc34
Basic Description
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 Temp
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.
Product Description
CC0651 is an allosteric inhibitor of human Cdc34 ubiquitin binding enzyme. CC0651 inhibited ubiquitination of p27Kip1 with IC50 of 1.72 μM.
Taxonomic Classification
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2R,3S,4S)-5-[4-(3,5-dichlorophenyl)phenyl]-2,3-dihydroxy-4-[(2-methoxyacetyl)amino]pentanoic acid
INCHI
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
InChIKey
NTCBTNCWNRCBGX-YTQUADARSA-N
Smiles
COCC(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl)C(C(C(=O)O)O)O
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
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C2414401