ChemSpider 2D Image | Pcm-075 | C24H27F3N8O3

Pcm-075

  • Molecular FormulaC24H27F3N8O3
  • Average mass532.518 Da
  • Monoisotopic mass532.215820 Da
  • ChemSpider ID26325993

More details:






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

1-(2-Hydroxyethyl)-8-{[5-(4-methyl-1-piperazinyl)-2-(trifluormethoxy)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]chinazolin-3-carboxamid [German] [ACD/IUPAC Name]
1-(2-Hydroxyethyl)-8-{[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide [ACD/IUPAC Name]
1-(2-Hydroxyéthyl)-8-{[5-(4-méthyl-1-pipérazinyl)-2-(trifluorométhoxy)phényl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide [French] [ACD/IUPAC Name]
1034616-18-6 [RN]
1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]- [ACD/Index Name]
NMS-1286937
NMS-P937
Pcm-075
[1034616-18-6]
1-(2-Hydroxyethyl)-8-((5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
More...

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

67RM91WDHQ [DBID]
UNII:67RM91WDHQ [DBID]
UNII-67RM91WDHQ [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15828
      Cell Cycle/DNA Damage; MedChem Express HY-15828
      NMS-1286937(NMS-P937) is an orally bioavailable, small-molecule Polo-like kinase 1 (PLK1) inhibitor(IC50=2 nM) with potential antineoplastic activity; no inhibition on PLK2 and PLK3. MedChem Express
      NMS-1286937(NMS-P937) is an orally bioavailable, small-molecule Polo-like kinase 1 (PLK1) inhibitor(IC50=2 nM) with potential antineoplastic activity; no inhibition on PLK2 and PLK3.; IC50 value: 2 nM [1]; Target: PLK1; in vitro: NMS-P937 potently causes a mitotic cell-cycle arrest followed by apoptosis in cancer cell lines and inhibits xenograft tumor growth with clear PLK1-related mechanism of action at well-tolerated doses in mice after oral administration. MedChem Express HY-15828
      NMS-1286937(NMS-P937) is an orally bioavailable, small-molecule Polo-like kinase 1 (PLK1) inhibitor(IC50=2 nM) with potential antineoplastic activity; no inhibition on PLK2 and PLK3.;IC50 value: 2 nM [1];Target: PLK1;In vitro: NMS-P937 potently causes a mitotic cell-cycle arrest followed by apoptosis in cancer cell lines and inhibits xenograft tumor growth with clear PLK1-related mechanism of action at well-tolerated doses in mice after oral administration. In addition, NMS-P937 shows potential for combination in clinical settings with approved cytotoxic drugs, causing tumor regression in HT29 human colon adenocarcinoma xenografts upon combination with irinotecan and prolonged survival of animals in a disseminated model of acute myelogenous leukemia in combination with cytarabine [2]. ;In vivo: We therefore tested our PLK1 inhibitor NMS-P937 in this model either in the engraftment or in the established disease settings. Both schedules showed good efficacy compared to standard the MedChem Express HY-15828
      Polo-like Kinase (PLK) MedChem Express HY-15828

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 757.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 412.1±35.7 °C
Index of Refraction: 1.692
Molar Refractivity: 129.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.16
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 2.63
ACD/KOC (pH 7.4): 52.60
Polar Surface Area: 135 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 338.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement