ChemSpider 2D Image | SCH772984 | C33H33N9O2

SCH772984

  • Molecular FormulaC33H33N9O2
  • Average mass587.674 Da
  • Monoisotopic mass587.275696 Da
  • ChemSpider ID23078369

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-(2-Oxo-2-{4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl}ethyl)-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3R)-1-(2-Oxo-2-{4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl}ethyl)-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3R)-1-(2-Oxo-2-{4-[4-(2-pyrimidinyl)phényl]-1-pipérazinyl}éthyl)-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
(3R)-1-(2-Oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-1H-indazol-5-yl]pyrrolidin-3-carboxamid
(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
3-Pyrrolidinecarboxamide, 1-[2-oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-, (3R)- [ACD/Index Name]
942183-80-4 [RN]
SCH 772984
SCH772984
(3r)-1-(2-Oxo-2-{4-[4-(Pyrimidin-2-Yl)phenyl]piperazin-1-Yl}ethyl)-N-[3-(Pyridin-4-Yl)-2h-Indazol-5-Yl]pyrrolidine-3-Carboxamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of indazoles that is 1H-indazole substituted by pyridin-4-yl and {[(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidin-3-yl]carbonyl}amino groups at posi tions 3 and 5, respectively. It is a potent inhibitor of mitogen-activated protein kinases ERK1 and ERK2 (IC50 = 4 and 1 nM, respectively) that exhibits anti-cancer properties. ChEBI CHEBI:167670

    • Bio Activity:

      ERK MedChem Express HY-50846
      MAPK MedChem Express HY-50846
      MAPK; MedChem Express HY-50846
      MEK MedChem Express HY-50846
      SCH772984 is a novel, specific inhibitor of ERK1/2 with IC50 of 4 nM and 1 nM, respectively. MedChem Express
      SCH772984 is a novel, specific inhibitor of ERK1/2 with IC50 of 4 nM and 1 nM, respectively.; IC50 Value: 4 nM/1 nM (MEK1/2) [1]; Target: MEK1/2; SCH772984 is a novel and selective inhibitor of ERK1/2 which displays behaviors of both type I and type II kinase inhibitors. MedChem Express HY-50846
      SCH772984 is a novel, specific inhibitor of ERK1/2 with IC50 of 4 nM and 1 nM, respectively.;IC50 Value: 4 nM/1 nM (ERK1/2) [1];Target: ERK1/2SCH772984 is a novel and selective inhibitor of ERK1/2 which displays behaviors of both type I and type II kinase inhibitors. SCH772984 has nanomolar cellular potency on tumor cells with mutations in BRAF, NRAS, or KRAS and induces tumor regressions in xenograft models at tolerated doses. SCH772984 effectively inhibited MAPK signaling and cell proliferation in BRAF or MEK inhibitor resistant models as well as in tumor cells resistant to concurrent treatment with BRAF and MEK inhibitors [1]. MedChem Express HY-50846

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

Density: 1.4±0.1 g/cm3
Boiling Point: 857.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 472.3±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 166.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.00
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 7.77
ACD/KOC (pH 7.4): 101.58
Polar Surface Area: 123 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 434.3±3.0 cm3

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