ChemSpider 2D Image | tazemetostat | C34H44N4O4

tazemetostat

  • Molecular FormulaC34H44N4O4
  • Average mass572.738 Da
  • Monoisotopic mass572.336243 Da
  • ChemSpider ID30208713

More details:






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

[1,1'-Biphenyl]-3-carboxamide, N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-5-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-4-methyl-4'-(4-morpholinylmethyl)- [ACD/Index Name]
1403254-99-8 [RN]
9963
N-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-5-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-4-methyl-4'-(4-morpholinylmethyl)-3-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-[(4,6-Dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-5-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-4-methyl-4'-(4-morpholinylmethyl)-3-biphenylcarboxamide [ACD/IUPAC Name]
N-[(4,6-Diméthyl-2-oxo-1,2-dihydro-3-pyridinyl)méthyl]-5-[éthyl(tétrahydro-2H-pyran-4-yl)amino]-4-méthyl-4'-(4-morpholinylméthyl)-3-biphénylcarboxamide [French] [ACD/IUPAC Name]
Q40W93WPE1
tazemetostat [INN]
tazemetostat [Spanish] [INN]
tazémétostat [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2227
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2227
      no pictogram Axon Medchem 2227
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2227
      Warning Axon Medchem 2227
    • Target Organs:

      Histone Methyltransferase inhibitor TargetMol T1788
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-13803
      Cell Cycle/DNA Damage; MedChem Express HY-13803
      Chromatin/Epigenetic TargetMol T1788
      EPZ-6438 is a potent, selective, and orally bioavailable small-molecule inhibitor of EZH2 enzymatic activity with Ki value of 2.5?0.5 nM.; IC50 Value: 2.5?0.5 nM (PRC2-containing wild-type EZH2) [1]; Target: EZH2; HMTase; in vitro: EPZ-6438 inhibited the activity of human PRC2-containing wild-type EZH2 with an inhibition constant (Ki) value of 2.5 ? 0.5 nM, and similar potency was observed for EZH2 proteins bearing all known lymphoma change-of-function mutations. MedChem Express HY-13803
      EPZ-6438 is a potent, selective, and orally bioavailable small-molecule inhibitor of EZH2 enzymatic activity with Ki value of 2.5?0.5 nM.;IC50 Value: 2.5?0.5 nM (PRC2-containing wild-type EZH2) [1];Target: EZH2; HMTase;In vitro: EPZ-6438 inhibited the activity of human PRC2-containing wild-type EZH2 with an inhibition constant (Ki) value of 2.5 ? 0.5 nM, and similar potency was observed for EZH2 proteins bearing all known lymphoma change-of-function mutations. EPZ-6438 displayed a 35-fold selectivity versus EZH1 and >4,500-fold selectivity relative to 14 other HMTs tested. In vitro treatment of SMARCB1-deleted MRT cell lines with EPZ-6438 induced strong antiproliferative effects with IC50 values in the nanomolar range, whereas the control (wild-type) cell lines were minimally affected. EPZ-6438 was well tolerated at all doses with minimal effect on body weight (Fig. S4A). Oral EPZ-6438 treatment of G401 cells for up to 7 d strongly induced expression of CD133, DOCK4, and PTPRK and MedChem Express HY-13803
      EPZ-6438 is a potent, selective, and orally bioavailable small-molecule inhibitor of EZH2 enzymatic activity with Ki value of 2.5±0.5 nM. MedChem Express
      EZH2 MedChem Express HY-13803
      EZH2 TargetMol T1788
      EZH2 HMTase MedChem Express HY-13803

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

Density: 1.2±0.1 g/cm3
Boiling Point: 750.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.9±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 166.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 4.16
ACD/KOC (pH 5.5): 54.49
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.06
ACD/KOC (pH 7.4): 380.50
Polar Surface Area: 83 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 492.4±3.0 cm3

Click to predict properties on the Chemicalize site






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