ChemSpider 2D Image | Pinometostat | C30H42N8O3

Pinometostat

  • Molecular FormulaC30H42N8O3
  • Average mass562.706 Da
  • Monoisotopic mass562.338013 Da
  • ChemSpider ID29315022
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

1380288-87-8 [RN]
5'-Deoxy-5'-[isopropyl(cis-3-{2-[5-(2-methyl-2-propanyl)-1H-benzimidazol-2-yl]ethyl}cyclobutyl)amino]adenosine [ACD/IUPAC Name]
5'-Desoxy-5'-[isopropyl(cis-3-{2-[5-(2-methyl-2-propanyl)-1H-benzimidazol-2-yl]ethyl}cyclobutyl)amino]adenosin [German] [ACD/IUPAC Name]
5'-Désoxy-5'-[isopropyl(cis-3-{2-[5-(2-méthyl-2-propanyl)-1H-benzimidazol-2-yl]éthyl}cyclobutyl)amino]adénosine [French] [ACD/IUPAC Name]
8V9YR09EF3
Adenosine, 5'-deoxy-5'-[[cis-3-[2-[5-(1,1-dimethylethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl](1-methylethyl)amino]- [ACD/Index Name]
EPZ5676
pinometostat [Spanish] [INN]
Pinometostat [INN]
pinométostat [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9964 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15593
      Cell Cycle/DNA Damage; MedChem Express HY-15593
      EPZ-5676 is a potent and selective aminonucleoside inhibitor of DOT1L histone methyltransferase with Ki of 80 pM; demonstrating MedChem Express http://www.medchemexpress.com/mmaf.html
      EPZ-5676 is a potent and selective aminonucleoside inhibitor of DOT1L histone methyltransferase with Ki of 80 pM; demonstrating >37,000-fold selectivity against all other PMTs tested, inhibits H3K79 methylation in tumor. MedChem Express HY-15593
      EPZ-5676 is a potent and selective aminonucleoside inhibitor of DOT1L histone methyltransferase with Ki of 80 pM; demonstrating >37,000-fold selectivity against all other PMTs tested, inhibits H3K79 methylation in tumor. ;IC50 Value: 80 pM (Ki value) [1];Target: ;In vitro: The compound has a Ki value of 80 pM, and demonstrates 37,000-fold selectivity over all other methyltransferases tested. In cellular studies, EPZ-5676inhibited H3K79 methylation and MLL-fusion target gene expression and demonstrated potent cell killing that was selective for acute leukemia lines bearing MLL translocations [1].;In vivo: Continuous intravenous (IV) infusion of EPZ-5676 in a rat xenograft model of MLL-rearranged leukemia caused complete tumor regressions that were sustained well beyond the compound infusion period with no significant weight loss or signs of toxicity [1].Clinical trial: A First-in-Human, Phase I and Expanded Cohort Study of EPZ-5676 in Advanced Hematological Malignancies, Includin MedChem Express HY-15593
      HMTase MedChem Express HY-15593

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

Density: 1.5±0.1 g/cm3
Boiling Point: 835.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 459.0±37.1 °C
Index of Refraction: 1.722
Molar Refractivity: 153.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 20.80
Polar Surface Area: 151 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 387.5±7.0 cm3

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