ChemSpider 2D Image | UNC0642 | C29H44F2N6O2

UNC0642

  • Molecular FormulaC29H44F2N6O2
  • Average mass546.695 Da
  • Monoisotopic mass546.349365 Da
  • ChemSpider ID30687764

More details:

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

1481677-78-4 [RN]
2-(4,4-Difluor-1-piperidinyl)-N-(1-isopropyl-4-piperidinyl)-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-chinazolinamin [German] [ACD/IUPAC Name]
2-(4,4-Difluoro-1-piperidinyl)-N-(1-isopropyl-4-piperidinyl)-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine [ACD/IUPAC Name]
2-(4,4-Difluoro-1-pipéridinyl)-N-(1-isopropyl-4-pipéridinyl)-6-méthoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine [French] [ACD/IUPAC Name]
2-(4,4-Difluoropiperidin-1-yl)-6-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine
2-(4,4-difluoropiperidin-1-yl)-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine
4-Quinazolinamine, 2-(4,4-difluoro-1-piperidinyl)-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]- [ACD/Index Name]
MFCD28044322
UNC0642
[1481677-78-4] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the UNC 0642 probe summary on the SGC website. Tocris Bioscience 5132

    • Bio Activity:

      Enzymes Tocris Bioscience 5132
      Lysine Methyltransferases Tocris Bioscience 5132
      Potent and selective G9a and GLP histone lysine methyltransferase inhibitor (IC50 < 2.5 nM). Exhibits >2,000-fold selectivity for G9a and GLP over PRC2-EZH2 and >20,000-fold selectivity over other met hyltransferases. Reduces H3K9 dimethylation levels in MDA-MB-231 cells (IC50 = 110 nM). Displays modest brain penetration in vivo. Tocris Bioscience 5132
      Potent and selective G9a and GLP histone lysine methyltransferase inhibitor (IC50 < 2.5 nM). Exhibits >2,000-fold selectivity for G9a and GLP over PRC2-EZH2 and >20,000-fold selectivity over other methyltransferases. Reduces H3K9 dimethylation levels in MDA-MB-231 cells (IC50 = 110 nM). Displays modest brain penetration in vivo. Tocris Bioscience 5132
      Potent and selective G9a and GLP inhibitor Tocris Bioscience 5132
      Transferases Tocris Bioscience 5132

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

Density: 1.2±0.1 g/cm3
Boiling Point: 679.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.6±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 150.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 443.2±5.0 cm3

Click to predict properties on the Chemicalize site


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