ChemSpider 2D Image | (+)-Nutlin-3 | C30H30Cl2N4O4

(+)-Nutlin-3

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID21865426

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(+)-Nutlin-3
(±)-4-[4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one
2-Piperazinone, 4-[[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]- [ACD/Index Name]
4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazole-1-carbonyl]piperazin-2-one
4-{[(4R,5S)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-2-piperazinone [ACD/IUPAC Name]
4-{[(4R,5S)-4,5-Bis(4-chlorophényl)-2-(2-isopropoxy-4-méthoxyphényl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-2-pipérazinone [French] [ACD/IUPAC Name]
4-{[(4R,5S)-4,5-Bis(4-chlorphenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-2-piperazinon [German] [ACD/IUPAC Name]
548472-68-0 [RN]
675576-97-3 [RN]
FJA1772CVW
More...

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

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold under license from F. Hoffmann-La Roche Ltd. Tocris Bioscience 3984

    • Bio Activity:

      Apoptosis MedChem Express HY-50696, HY-15335
      Apoptosis; MedChem Express HY-50696, HY-15335
      Enzymes Tocris Bioscience 3984
      Ligases Tocris Bioscience 3984
      MDM2 antagonist; inhibits MDM2-p53 interaction Tocris Bioscience 3984
      MDM2 antagonist; inhibits the MDM2-p53 interaction (IC50 = 0.09 ?M) and activates p53. Antiproliferative agent; induces apoptosis in cancer cells. Tocris Bioscience 3984
      MDM2 antagonist; inhibits the MDM2-p53 interaction (IC50 = 0.09 muM) and activates p53. Antiproliferative agent; induces apoptosis in cancer cells. Tocris Bioscience 3984
      MDM-2, p53 MedChem Express HY-50696, HY-15335
      Nutlin-3 is MDM2 antagonist. MedChem Express http://www.medchemexpress.com/A939572.html, HY-50696
      Nutlin-3b is a MDM2/p53 antagonist or inhibitor with IC50 of 13.6 ?M. MedChem Express HY-15335
      Ubiquitin E3 Ligases Tocris Bioscience 3984

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1290.98
ACD/KOC (pH 5.5): 5865.52
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1291.91
ACD/KOC (pH 7.4): 5869.71
Polar Surface Area: 83 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 426.7±7.0 cm3

Click to predict properties on the Chemicalize site


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