ChemSpider 2D Image | UNC0646 | C36H59N7O2

UNC0646

  • Molecular FormulaC36H59N7O2
  • Average mass621.899 Da
  • Monoisotopic mass621.473022 Da
  • ChemSpider ID26612589

More details:

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

1320288-17-2 [RN]
N-(1-cyclohexyl-4-piperidinyl)-6-methoxy-7-[3-(1-piperidinyl)propoxy]-2-(4-propan-2-yl-1,4-diazepan-1-yl)-4-quinazolinamine
N-(1-cyclohexylpiperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-amine
N-(1-cyclohexylpiperidin-4-yl)-6-methoxy-7-[3-(piperidin-1-yl)propoxy]-2-[4-(propan-2-yl)-1,4-diazepan-1-yl]quinazolin-4-amine
UNC0646
(1-cyclohexyl-piperidin-4-yl)-[2-(4-isopropyl-[1,4]diazepan-1-yl)-6-methoxy-7-(3-piperidin-1-yl-propoxy)-quinazolin-4-yl]-amine
[1320288-17-2] [RN]
4-Quinazolinamine, N-(1-cyclohexyl-4-piperidinyl)-2-[hexahydro-4-(1-methylethyl)-1H-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]- [ACD/Index Name]
MFCD22378486
N-(1-Cyclohexyl-4-piperidinyl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-chinazolinamin [German] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB1423
      Cell Cycle/DNA Damage MedChem Express HY-13807
      Cell Cycle/DNA Damage; MedChem Express HY-13807
      Enzymes Tocris Bioscience 4342
      Enzymes/Transferase/Histone methyltransferase (HMTs) Hello Bio HB1423
      HMTase MedChem Express HY-13807
      Lysine Methyltransferases Tocris Bioscience 4342
      Potent and selective G9a and G9a-like protein (GLP) histone lysine methyltransferase (HMTase) inhibitor (IC<sub>50</sub> values are 6 and < 15 nM respectively). Selective for G9a and GLP over other methyltransferases. Hello Bio HB1423
      Potent and selective G9a and GLP inhibitor Tocris Bioscience 4342
      Potent and selective inhibitor of the homologous protein lysine methyltransferases, G9a and GLP (IC50 values are 6 nM and 15 nM for G9a and GLP, respectively). Potently blocks G9a/GLP methyltransferas e activity in cells (IC50 = 10 nM in MCF7 cells); exhibits low cellular toxicity (EC50 = 4.7 ?M in MCF7 cells). Selective for G9a/GLP over a range of other protein lysine methyltransferases and protei n arginine methyltransferases. Tocris Bioscience 4342
      Potent and selective inhibitor of the homologous protein lysine methyltransferases, G9a and GLP (IC50 values are 6 nM and 15 nM for G9a and GLP, respectively). Potently blocks G9a/GLP methyltransferase activity in cells (IC50 = 10 nM in MCF7 cells); exhibits low cellular toxicity (EC50 = 4.7 ?M in MCF7 cells). Selective for G9a/GLP over a range of other protein lysine methyltransferases and protein arginine methyltransferases. Tocris Bioscience 4342
      Potent and selective inhibitor of the homologous protein lysine methyltransferases, G9a and GLP (IC50 values are 6 nM and 15 nM for G9a and GLP, respectively). Potently blocks G9a/GLP methyltransferase activity in cells (IC50 = 10 nM in MCF7 cells); exhibits low cellular toxicity (EC50 = 4.7 muM in MCF7 cells). Selective for G9a/GLP over a range of other protein lysine methyltransferases and protein arginine methyltransferases. Tocris Bioscience 4342
      Potent, selective G9a / GLP HMTase inhibitor Hello Bio HB1423
      Transferases Tocris Bioscience 4342
      UNC0646 is a potent and selective G9a inhibitor with IC50 of 6 nM. MedChem Express
      UNC0646 is a potent and selective G9a inhibitor with IC50 of 6 nM.; IC50 value: 6 nM [1]; Target: G9a; UNC0646 is a potent and selective inhibitor of the homologous protein lysine methyltransferases, G9a and GLP (IC50 values are 6 nM and 15 nM for G9a and GLP, respectively). MedChem Express HY-13807

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

Density: 1.1±0.1 g/cm3
Boiling Point: 754.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 410.1±35.7 °C
Index of Refraction: 1.587
Molar Refractivity: 185.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 550.9±3.0 cm3

Click to predict properties on the Chemicalize site


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