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Search term: WXRGFPHDRFQODR-ICLZECGLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | EPZ004777 | C28H41N7O4

EPZ004777

  • Molecular FormulaC28H41N7O4
  • Average mass539.670 Da
  • Monoisotopic mass539.322021 Da
  • ChemSpider ID28643044

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1338466-77-5 [RN]
3-[3-({[(2R,3S,4R,5R)-5-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(propan-2-yl)amino)propyl]-1-(4-tert-butylphenyl)urea
3-[3-({[(2R,3S,4R,5R)-5-{4-aminopyrrolo[2,3-d]pyrimidin-7-yl}-3,4-dihydroxyoxolan-2-yl]methyl}(isopropyl)amino)propyl]-1-(4-tert-butylphenyl)urea
7-(5-Deoxy-5-{isopropyl[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
7-(5-Desoxy-5-{isopropyl[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
7-(5-Désoxy-5-{isopropyl[3-({[4-(2-méthyl-2-propanyl)phényl]carbamoyl}amino)propyl]amino}-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7-[5-Deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[5-deoxy-5-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]-β-D-ribofuranosyl]- [ACD/Index Name]
EPZ004777
[1338466-77-5] [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold under license from Epizyme, Inc. Tocris Bioscience 5567

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15227
      Cell Cycle/DNA Damage; MedChem Express HY-15227
      Enzymes Tocris Bioscience 5567
      EPZ004777 is a potent, selective DOT1L inhibitor with IC50 of 0.4 nM. MedChem Express
      EPZ004777 is a potent, selective DOT1L inhibitor with IC50 of 0.4 nM.; IC50 value: 0.4 nM [1]; Target: DOT1L; in vitro: EPZ004777 selectively inhibits cellular H3K79 methylation and inhibits expression of key MLL fusion target genes. MedChem Express HY-15227
      EPZ004777 is a potent, selective DOT1L inhibitor with IC50 of 0.4 nM.;IC50 value: 0.4 nM [1];Target: DOT1L;In vitro: EPZ004777 selectively inhibits cellular H3K79 methylation and inhibits expression of key MLL fusion target genes. Following DOT1L inhibition, EPZ004777 selectively inhibits proliferation of MLL-Rearranged cell lines and MLL-AF9-transformed murine hematopoietic cells. In addition, EPZ004777 also induces differentiation and apoptosis in MLL-rearranged cells [1]. EPZ004777 selectively inhibits proliferation of MLL?AF10 and CALM?AF10-transformed murine bone marrow cells [2]. DOT1L inhibition by EPZ004777 results in significantly decreased proliferation, decreased expression of MLL-AF6 target genes, and cell cycle arrest of MLL-AF6-transformed cells [3].;In vivo: EPZ004777 produces potent antitumor efficacy, and significantly increases median survival in a mouse xenograft model of MLL leukemia [1]. MedChem Express HY-15227
      Highly potent DOT1L inhibitor Tocris Bioscience 5567
      Highly potent DOT1L inhibitor (IC50 = 0.4 nM). Exhibits >1000-fold selectivity for DOT1L over a panel of other methyltransferases. Selectively inhibits proliferation and induces apoptosis of MLL-rearr anged cells in vitro. Prolongs survival in a MLL xenograft mouse model. Tocris Bioscience 5567
      Highly potent DOT1L inhibitor (IC50 = 0.4 nM). Exhibits >1000-fold selectivity for DOT1L over a panel of other methyltransferases. Selectively inhibits proliferation and induces apoptosis of MLL-rearranged cells in vitro. Prolongs survival in a MLL xenograft mouse model. Tocris Bioscience 5567
      HMTase MedChem Express HY-15227
      Lysine Methyltransferases Tocris Bioscience 5567
      Transferases Tocris Bioscience 5567

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 401.7±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.94
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 2.97
ACD/KOC (pH 7.4): 29.49
Polar Surface Area: 151 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 405.1±7.0 cm3

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