ChemSpider 2D Image | RO3280 | C27H35F2N7O3

RO3280

  • Molecular FormulaC27H35F2N7O3
  • Average mass543.609 Da
  • Monoisotopic mass543.276917 Da
  • ChemSpider ID21437060

More details:

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

1062243-51-9 [RN]
4-({9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-5H,6H,7H,8H,9H-pyrimido[4,5-b][1,4]diazepin-2-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
4-({9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
4-[(9-Cyclopentyl-7,7-difluor-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamid [German] [ACD/IUPAC Name]
4-[(9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide [ACD/IUPAC Name]
4-[(9-Cyclopentyl-7,7-difluoro-5-méthyl-6-oxo-6,7,8,9-tétrahydro-5H-pyrimido[4,5-b][1,4]diazépin-2-yl)amino]-3-méthoxy-N-(1-méthyl-4-pipéridinyl)benzamide [French] [ACD/IUPAC Name]
4-[(9-Cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)benzamide
Benzamide, 4-[(9-cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methyl-4-piperidinyl)- [ACD/Index Name]
MFCD22665717
Ro 3280
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      PLK inhibitor TargetMol T2634

    • Bio Activity:

      Cell Cycle/Checkpoint TargetMol T2634
      Cell Cycle/DNA Damage MedChem Express HY-15161
      Cell Cycle/DNA Damage; MedChem Express HY-15161
      Enzymes Tocris Bioscience 5968
      Kinases Tocris Bioscience 5968
      PLK1 TargetMol T2634
      Polo-like Kinase Tocris Bioscience 5968
      Polo-like Kinase (PLK) MedChem Express HY-15161
      Potent and selective PLK inhibitor (IC50 = 3 nM). Exhibits selectivity for PLK1 over a panel of other kinases. Inhibits growth of a range of tumor cells lines in vitro and induces apoptosis in leukemia cells. Exhibits antitumor activity in mouse colorectal and nasopharyngeal cancer models in vivo. Tocris Bioscience 5968
      Potent and selective PLK1 inhibitor Tocris Bioscience 5968
      RO3280 is a potent, highly selective inhibitor of Polo-like kinase 1 (PLK1) with IC50 of 3 nM. MedChem Express
      RO3280 is a potent, highly selective inhibitor of Polo-like kinase 1 (PLK1) with IC50 of 3 nM.; IC50 Value: 3 nM (PLK1) [1]; Target: PLK; in vitro: Difluoro-analog 7 (RO3280) gave the best results in both enzymatic (PLK1, IC50 = 3 nM) and cellular (lung cancer cell line H82, EC50 = 6 nM) assays. MedChem Express HY-15161
      RO3280 is a potent, highly selective inhibitor of Polo-like kinase 1 (PLK1) with IC50 of 3 nM.;IC50 Value: 3 nM (PLK1) [1];Target: PLK;In vitro: Difluoro-analog 7 (RO3280) gave the best results in both enzymatic (PLK1, IC50 = 3 nM) and cellular (lung cancer cell line H82, EC50 = 6 nM) assays. RO3280 was evaluated for its in vivo antitumor activity in a series of mouse xenograft models, of which the HT-29 colorectal cancer cell line is representative. ;In vivo: RO3280 displayed robust antitumor activity ranging from 72% tumor growth inhibition when dosed once weekly at 40 mg/Kg, to complete tumor regression when dosed more frequently. MedChem Express HY-15161

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: 1.623
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 23.51
Polar Surface Area: 103 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 399.1±5.0 cm3

Click to predict properties on the Chemicalize site


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