ChemSpider 2D Image | UNC-0638 | C30H47N5O2

UNC-0638

  • Molecular FormulaC30H47N5O2
  • Average mass509.727 Da
  • Monoisotopic mass509.372986 Da
  • ChemSpider ID25057612

More details:






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

1255580-76-7 [RN]
26A103L2FO
2-Cyclohexyl-N-(1-isopropyl-4-piperidinyl)-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-chinazolinamin [German] [ACD/IUPAC Name]
2-Cyclohexyl-N-(1-isopropyl-4-piperidinyl)-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine [ACD/IUPAC Name]
2-Cyclohexyl-N-(1-isopropyl-4-pipéridinyl)-6-méthoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine [French] [ACD/IUPAC Name]
2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine
UNC-0638
1255517-77-1 [RN]
2-cyclohexyl-6-methoxy-N-(1-propan-2-yl-4-piperidinyl)-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      DMSO MedChem Express HY-15273
      DMSO 52 mg/ml MedChem Express HY-15273
      Soluble in DMSO Axon Medchem 1889
      Soluble to 100 mM in DMSO and to 100 mM in ethanol Tocris Bioscience 4343
      Soluble to 100 mM in DMSO and to 100 mM in ethanol and to 100 mM in 1eq. HCl Tocris Bioscience 4343
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1889
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1889
      no pictogram Axon Medchem 1889
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1889
      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the UNC 0638 probe summary on the SGC website. Tocris Bioscience 4343
      Warning Axon Medchem 1889
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15273
      Cell Cycle/DNA Damage; MedChem Express HY-15273
      Enzymes Tocris Bioscience 4343
      HMTase MedChem Express HY-15273
      Lysine Methyltransferases Tocris Bioscience 4343
      Selective G9a and GLP inhibitor Tocris Bioscience 4343
      Selective inhibitor of G9a and GLP histone lysine methyltransferases (IC50 values are < 15 nM and 19 nM for G9a and GLP respectively, and > 10000 nM for a range of other histone methyltransferases). P otently inhibits dimethylation of H3K9 in MCF-7 cells (IC50 = 70 nM). Cell permeable. Tocris Bioscience 4343
      Selective inhibitor of G9a and GLP histone lysine methyltransferases (IC50 values are < 15 nM and 19 nM for G9a and GLP respectively, and > 10000 nM for a range of other histone methyltransferases). Potently inhibits dimethylation of H3K9 in MCF-7 cells (IC50 = 70 nM). Cell permeable. Tocris Bioscience 4343
      Transferases Tocris Bioscience 4343
      UNC0638 is an inhibitor of protein lysine methyltransferases G9a(IC50<15 nM) and GLP(IC50=19 nM) with excellent potency and selectivity over a wide range of epigenetic and non-epigenetic targets. MedChem Express
      UNC0638 is an inhibitor of protein lysine methyltransferases G9a(IC50<15 nM) and GLP(IC50=19 nM) with excellent potency and selectivity over a wide range of epigenetic and non-epigenetic targets.; IC50 value: <15 nM (G9a); 19?1 nM (GLP) [1]; Target: Protein lysine methyltransferases G9a/GLP; in vitro: UNC0638 was a potent G9a (IC50 < 15 nM (n = 4)) and GLP inhibitor (IC50 = 19 ? 1 nM (n = 2)) in these SAHH-coupled assays. MedChem Express HY-15273
      UNC0638 is an inhibitor of protein lysine methyltransferases G9a(IC50<15 nM) and GLP(IC50=19 nM) with excellent potency and selectivity over a wide range of epigenetic and non-epigenetic targets.;IC50 value: <15 nM (G9a); 19?1 nM (GLP) [1];Target: Protein lysine methyltransferases G9a/GLP;In vitro: UNC0638 was a potent G9a (IC50 < 15 nM (n = 4)) and GLP inhibitor (IC50 = 19 ? 1 nM (n = 2)) in these SAHH-coupled assays. UNC0638 also stabilized G9a and GLP in differential scanning fluorimetry (DSF) experiments, with Tm shifts of 4 ?C and 8 ?C, respectively, consistent with high-affinity binding [1]. Of note, UNC0638 had weak but measurable activity against JMJD2E (IC50 = 4,500 ? 1,100 nM (n = 3)), a Jumonji protein demethylase and DNA methyltransferase DNMT1 (IC50 = 107,000 ? 6,000 nM (n = 2)). Nevertheless, the selectivity of UNC0638 for G9a and GLP over JMJD2E was >200-fold, and selectivity for G9a and GLP over DNMT1 was >5,000-fold [1]. In MDA-MB-231 cells, UNC0638 (48 h exposure) MedChem Express HY-15273

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

Density: 1.1±0.1 g/cm3
Boiling Point: 563.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.8±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 152.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 63 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 453.2±3.0 cm3

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