ChemSpider 2D Image | PF-03814735 | C23H25F3N6O2

PF-03814735

  • Molecular FormulaC23H25F3N6O2
  • Average mass474.479 Da
  • Monoisotopic mass474.199097 Da
  • ChemSpider ID28637806

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

942487-16-3 [RN]
Acetamide, N-[2-[(1S,4R)-6-[[4-(cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]- [ACD/Index Name]
N-{2-[(1R,8S)-4-{[4-(Cyclobutylamino)-5-(trifluormethyl)-2-pyrimidinyl]amino}-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
N-{2-[(1R,8S)-4-{[4-(Cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-2-oxoethyl}acetamide [ACD/IUPAC Name]
N-{2-[(1R,8S)-4-{[4-(Cyclobutylamino)-5-(trifluorométhyl)-2-pyrimidinyl]amino}-11-azatricyclo[6.2.1.02,7]undéca-2,4,6-trién-11-yl]-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]
PF-03814735
[942487-16-3] [RN]
34W
Galardin | Ilomastat |
MFCD16659065 [MDL number]
More...

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

6V5T4O5758 [DBID]
CCRIS 4693 [DBID]
UNII:6V5T4O5758 [DBID]
UNII-6V5T4O5758 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold for research purposes under agreement from Pfizer Inc. Tocris Bioscience 4821

    • Bio Activity:

      ATP-competitive inhibitor of Aurora kinases A and B (IC50 values are 0.8 and 5 nM for recombinant Aurora B and Aurora A, respectively). Inhibits phosphorylation of Aurora B, histone H3 and Aurora A in cultured MDA-MB-231 cells (IC50 values are approximately 20, 50 and 150 nM respectively). Shown to block cytokinesis; inhibits cellular proliferation in several human tumor cell lines, including HCT-116, HL-60, A549 and H125, and in human xenograft mouse models. Orally available. Tocris Bioscience 4821
      ATP-competitive inhibitor of Aurora kinases A and B (IC50 values are 0.8 and 5 nM for recombinant Aurora B and Aurora A, respectively). Inhibits phosphorylation of Aurora B, histone H3 and Aurora A in cultured MDA-MB-231 cells (IC50 values are approximately 20, 50 and 150 nM respectively). Shown to block cytokinesis; inhibits cellular proliferation in several human tumor cell lines, including HCT- 116, HL-60, A549 and H125, and in human xenograft mouse models. Orally available. Tocris Bioscience 4821
      Aurora Kinase MedChem Express HY-14574
      Aurora kinase A and B inhibitor Tocris Bioscience 4821
      Aurora Kinases Tocris Bioscience 4821
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB1441
      Cell Cycle/DNA Damage MedChem Express HY-14574
      Cell Cycle/DNA Damage; MedChem Express HY-14574
      Enzymes Tocris Bioscience 4821
      Enzymes/Kinase/Aurora kinase Hello Bio HB1441
      Kinases Tocris Bioscience 4821
      PF-03814735 is a novel, potent, orally bioavailable, reversible small-molecule Aurora kinase inhibitor with IC50 of 0.8, 5, 10 and 22 nM for Aurora A, Aurora B, Flt 1 and FAk, respectively. MedChem Express http://www.medchemexpress.com/PF-03814735.html, HY-14574
      PF-03814735 is a novel, potent, orally bioavailable, reversible small-molecule Aurora kinase inhibitor with IC50 of 0.8, 5, 10 and 22 nM for Aurora A, Aurora B, Flt 1 and FAk, respectively. ;IC50 Value: 0.8 nM(Aurora A); 5 nM(Aurora B); 10 nM(Flt1); 22 nM(FAK); 30 nM(TrkA);Target: Aurora A/BPF-03814735 possesses potential antineoplastic activity. Aurora kinase inhibitor PF-03814735 binds to and blocks Aurora kinases A and B, which may result in the prevention of cellular division and proliferation in tumor cells that overexpress these kinases. In intact cells, the preventive activity of PF-03814735 on the Aurora1 and Aurora2 kinases attenuates levels of phospho-Aurora1, phosphohistone H3, and phospho-Aurora2. PF-03814735 generates a block in cytokinesis, leading to prevention of cell proliferation and the formation of polyploid multinucleated cells. Although PF-03814735 generates significant prevention of several other protein kinases, the predominant biochemical effects in cellul MedChem Express HY-14574
      Potent Aurora kinase inhibitor Hello Bio HB1441
      Potent Aurora kinase inhibitor. Reversibly inhibits Aurora B and -A (IC<sub>50</sub> values are 0.8 and 5 nM respectively). Shows antiproliferative and anti-cancer actions. Hello Bio HB1441

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: 1.642
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.49
ACD/KOC (pH 5.5): 490.09
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.76
ACD/KOC (pH 7.4): 528.65
Polar Surface Area: 99 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 328.8±3.0 cm3

Click to predict properties on the Chemicalize site


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