ChemSpider 2D Image | UNC0224 | C26H43N7O2

UNC0224

  • Molecular FormulaC26H43N7O2
  • Average mass485.665 Da
  • Monoisotopic mass485.347809 Da
  • ChemSpider ID24531957

More details:

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

1197196-48-7 [RN]
4-quinazolinamine, 7-[3-(dimethylamino)propoxy]-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6-methoxy-N-(1-methyl-4-piperidinyl)- [ACD/Index Name]
7-[3-(Dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methyl-4-piperidinyl)-4-chinazolinamin [German] [ACD/IUPAC Name]
7-[3-(Dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methyl-4-piperidinyl)-4-quinazolinamine [ACD/IUPAC Name]
7-[3-(Diméthylamino)propoxy]-6-méthoxy-2-(4-méthyl-1,4-diazépan-1-yl)-N-(1-méthyl-4-pipéridinyl)-4-quinazolinamine [French] [ACD/IUPAC Name]
7-[3-(Dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
UNC0224
7-(3-(DIMETHYLAMINO)PROPOXY)-2-(HEXAHYDRO-4-METHYL-1H-1,4-DIAZEPIN-1-YL)-6-METHOXY-N-(1-METHYL-4-PIPERIDINYL)-4-QUINAZOLINAMINE
7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
7-[3-(Dimethylamino)propoxy]-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6-methoxy-N-(1-methyl-4-piperidinyl)-4-quinazolinamine
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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

    • Experimental Solubility:

      100 mM in DMSO; Water < 1 mg/ml MedChem Express HY-10929
      Soluble in DMSO (100mM) Hello Bio HB1420
      Soluble to 100 mM in 1eq. HCl and to 100 mM in DMSO Tocris Bioscience 3861
      Soluble to 100 mM in 1eq. HCl and to 100 mM in DMSO MedChem Express HY-10929
  • Miscellaneous

    • Bio Activity:

      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB1420
      Cell Cycle/DNA Damage MedChem Express HY-10929
      Cell Cycle/DNA Damage; MedChem Express HY-10929
      Enzymes Tocris Bioscience 3861
      Enzymes/Transferase/Histone methyltransferase (HMTs) Hello Bio HB1420
      HMTase MedChem Express HY-10929
      Lysine Methyltransferases Tocris Bioscience 3861
      Potent and selective G9a histone lysine methyltransferase (HMTase) inhibitor (IC<sub>50</sub> = 15 nM). Hello Bio HB1420
      Potent G9a and GLP inhibitor Tocris Bioscience 3861
      Potent G9a and GLP inhibitor (IC50 values are 15 and 20 nM in a ThioGlo assay, respectively). Exhibits >1000-fold selectivity for G9a over SET7, SET8 and SET9. Tocris Bioscience 3861
      Potent G9a inhibitor Tocris Bioscience 3861
      Potent inhibitor of G9a histone lysine methyltransferase (IC50 = 15 nM). Tocris Bioscience 3861
      Potent, selective G9a HMTase inhibitor Hello Bio HB1420
      Transferases Tocris Bioscience 3861
      UNC0224 is a potent and selective G9a inhibitor with IC50 of 15 nM in the G9a Thioglo assay. MedChem Express
      UNC0224 is a potent and selective G9a inhibitor with IC50 of 15 nM in the G9a Thioglo assay.; IC50 value: 15 nM [1]; Target: G9a; UNC0224 (Compound 8) also potently inhibited GLP with an IC50 of 20 nM and 58 nM in the Thioglo assay and and AlphaScreen, respectively. MedChem Express HY-10929
      UNC0224 is a potent and selective G9a inhibitor with IC50 of 15 nM in the G9a Thioglo assay.;IC50 value: 15 nM [1];Target: G9aUNC0224 (Compound 8) also potently inhibited GLP with an IC50 of 20 nM and 58 nM in the Thioglo assay and and AlphaScreen, respectively. 8 was more than 1000-fold selective for G9a over SET7/9 (a H3K4 HMT) and SET8/PreSET7 (a H4K20 HMT) in Thioglo-based biochemical assays [1] [2]. MedChem Express HY-10929

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

Density: 1.1±0.1 g/cm3
Boiling Point: 641.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.5±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -3.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 425.4±3.0 cm3

Click to predict properties on the Chemicalize site


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