ChemSpider 2D Image | 4,5-Dideoxy-5-(3',5'-dichloro-4-biphenylyl)-4-[(methoxyacetyl)amino]-L-arabinonic acid | C20H21Cl2NO6

4,5-Dideoxy-5-(3',5'-dichloro-4-biphenylyl)-4-[(methoxyacetyl)amino]-L-arabinonic acid

  • Molecular FormulaC20H21Cl2NO6
  • Average mass442.290 Da
  • Monoisotopic mass441.074585 Da
  • ChemSpider ID26329232

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3S,4S)-5-(3',5'-Dichloro-[1,1'-biphenyl]-4-yl)-2,3-dihydroxy-4-(2-methoxyacetamido)pentanoic acid
4,5-Dideoxy-5-(3',5'-dichloro-4-biphenylyl)-4-[(methoxyacetyl)amino]-L-arabinonic acid [ACD/IUPAC Name]
4,5-Dideoxy-5-(3',5'-Dichlorobiphenyl-4-Yl)-4-[(Methoxyacetyl)amino]-L-Arabinonic Acid
4,5-Didesoxy-5-(3',5'-dichlor-4-biphenylyl)-4-[(methoxyacetyl)amino]-L-arabinonsäure [German] [ACD/IUPAC Name]
Acide 4,5-didésoxy-5-(3',5'-dichloro-4-biphénylyl)-4-[(2-méthoxyacétyl)amino]-L-arabinonique [French] [ACD/IUPAC Name]
L-Arabinonic acid, 4,5-dideoxy-5-(3',5'-dichloro[1,1'-biphenyl]-4-yl)-4-[(2-methoxyacetyl)amino]- [ACD/Index Name]
[1319207-44-7] [RN]
1319207-44-7 [RN]
4,?5-?dideoxy-?5-?(3',?5'-?dichloro[1,?1'-?biphenyl]?-?4-?yl)?-?4-?[(2-?methoxyacetyl)?amino]?-L-?Arabinonic acid
CC 0651
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Allosteric inhibitor of hCdc34 Tocris Bioscience 4503
      Allosteric inhibitor of human Cdc34. Inhibits hCdc34-mediated ubiquitination of p27Kip1 (IC50 = 1.72 ?M). Exhibits selectivity for hCdc34 over Uba1, Ube2G1, UbcH7, UbcH5, Ube2N (Ubc13), Ube2R2, SMURF2, SspH1 and Rnf168. Tocris Bioscience 4503
      Allosteric inhibitor of human Cdc34. Inhibits hCdc34-mediated ubiquitination of p27Kip1 (IC50 = 1.72 muM). Exhibits selectivity for hCdc34 over Uba1, Ube2G1, UbcH7, UbcH5, Ube2N (Ubc13), Ube2R2, SMURF2, SspH1 and Rnf168. Tocris Bioscience 4503
      CC0651 is an allosteric inhibitor of the human cdc34 ubiquitin-conjugating enzyme that potently (IC50 = 1.72 uM) inhibited the ubiquitination of p27 Kip1. MedChem Express
      CC0651 is an allosteric inhibitor of the human cdc34 ubiquitin-conjugating enzyme that potently (IC50 = 1.72 uM) inhibited the ubiquitination of p27 Kip1.; IC50 value: 1.27 uM (inhibited the ubiquitination of p27 Kip1) [1]; Target: hcdc34 ubiquitin-conjugating enzyme; CC0651 that potently (IC50 = 1.72 uM) inhibited the ubiquitination of p27 Kip1, as confrmed by dose-response analysis. MedChem Express HY-15301
      CC0651 is an allosteric inhibitor of the human cdc34 ubiquitin-conjugating enzyme that potently (IC50 = 1.72 uM) inhibited the ubiquitination of p27 Kip1.;IC50 value: 1.27 uM (inhibited the ubiquitination of p27 Kip1) [1];Target: hcdc34 ubiquitin-conjugating enzymeCC0651 that potently (IC50 = 1.72 uM) inhibited the ubiquitination of p27 Kip1, as confrmed by dose-response analysis. CC0651 corresponds to (2R,3S,4S)-5-(3,5-dichlorobiphenyl-4-yl)-2,3-dihydroxy-4-(2-methoxyacetamido) pentanoic acid and has a molecular mass of 442.3 g/mol.The calculated Log P and Log D values for CC0651 were 2.46 and 0.985, with an aqueous solubility of 1 mg/ml at pH 7.4. CC0651 had no effect on ubiquitination of;The yeast CDK inhibitor Sic1 in the yeast Cdc34-SCF Cdc4 reaction. However, substitution of yeast Cdc34 with hCdc34 in this reaction caused CC0651 to robustly inhibit Sic1 ubiquitination. [1] MedChem Express HY-15301
      Cell Cycle/DNA Damage MedChem Express HY-15301
      Cell Cycle/DNA Damage; MedChem Express HY-15301
      E1/E2/E3 Enzyme MedChem Express HY-15301
      Enzymes Tocris Bioscience 4503
      Ligases Tocris Bioscience 4503
      Ubiquitin/Ubl E2 Conjugating Enzymes Tocris Bioscience 4503

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 755.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.8±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 107.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.21
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 313.5±3.0 cm3

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