ChemSpider 2D Image | UNC1999 | C33H43N7O2

UNC1999

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID30646720

More details:

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

1431612-23-5 [RN]
1H-Indazole-4-carboxamide, N-[(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3-pyridinyl]- [ACD/Index Name]
1-isopropyl-6-(6-(4-isopropylpiperazin-1-yl)pyridin-3-yl)-N-((6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl)-1H-indazole-4-carboxamide
1-Isopropyl-6-[6-(4-isopropyl-1-piperazinyl)-3-pyridinyl]-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-1H-indazol-4-carboxamid [German] [ACD/IUPAC Name]
1-Isopropyl-6-[6-(4-isopropyl-1-piperazinyl)-3-pyridinyl]-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-1H-indazole-4-carboxamide [ACD/IUPAC Name]
1-Isopropyl-6-[6-(4-isopropyl-1-pipérazinyl)-3-pyridinyl]-N-[(6-méthyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)méthyl]-1H-indazole-4-carboxamide [French] [ACD/IUPAC Name]
1-ISOPROPYL-6-[6-(4-ISOPROPYLPIPERAZIN-1-YL)PYRIDIN-3-YL]-N-[(6-METHYL-2-OXO-4-PROPYL-1H-PYRIDIN-3-YL)METHYL]INDAZOLE-4-CARBOXAMIDE
MFCD26960958
N-[(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3-pyridinyl]-1H-indazole-4-carboxamide
N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-1-(propan-2-yl)-6-{6-[4-(propan-2-yl)piperazin-1-yl]pyridin-3-yl}-1H-indazole-4-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
UN2811 [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 1999 probe summary on the SGC website. Tocris Bioscience 4904

    • Target Organs:

      Histone Methyltransferase inhibitor TargetMol T3057

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15646
      Cell Cycle/DNA Damage; MedChem Express HY-15646
      Chromatin/Epigenetic TargetMol T3057
      Enzymes Tocris Bioscience 4904
      EZH2 MedChem Express HY-15646
      EZH2 HMTase MedChem Express HY-15646
      EZH2;EZH1 TargetMol T3057
      Lysine Methyltransferases Tocris Bioscience 4904
      Potent and SAM-competitive EZH2/EZH1 lysine methyltransferase inhibitor (IC50 values are 2 and 45 nM respectively). Selective for EZH2/EZH1 over a panel of other methyltransferases and non-epigenetic targets. Reduces H3K27me3 levels in vitro. Prolongs survival of MLL-AF9 bearing mice. Orally bioavailable. Tocris Bioscience 4904
      Potent and SAM-competitive EZH2/EZH1 lysine methyltransferase inhibitor (IC50 values are 2 and 45 nM respectively). Selective for EZH2/EZH1 over a panel of other methyltransferases and non-epigenetic targets. Reduces H3K27me3 levels in vitro. Prolongs survival of MLL-AF9 bearing mice. Orally bioavailable. Tocris Bioscience 4904
      Potent and SAM-competitive EZH2/EZH1 lysine methyltransferase inhibitor (IC50 values are 2 and 45 nM respectively). Selective for EZH2/EZH1 over a panel of other methyltransferases and non-epigenetic targets. Reduces H3K27me3 levels in vitro. Prolongs survival of MLL-AF9 bearing mice. Orally bioavailable. Negative Control also available. Tocris Bioscience 4904
      Potent and selective EZH2/EZH1 inhibitor Tocris Bioscience 4904
      Transferases Tocris Bioscience 4904
      UNC1999 is a potent, orally bioavailable and selective inhibitor of EZH2 and EZH1 with IC50 of 2 nM and 45 nM, respectively. MedChem Express http://www.medchemexpress.com/hoechst-33258-analog-5.html, HY-15646
      UNC1999 is a potent, orally bioavailable and selective inhibitor of EZH2 and EZH1 with IC50 of 2 nM and 45 nM, respectively. ;IC50 Value: 2 nM(EZH2); 45 nM(EZH1);Target: EZH2UNC1999 was the first orally bioavailable EZH2 inhibitor that has high in vitro potency for wild-type and mutant EZH2 as well as EZH1, UNC1999 was highly selective for EZH2 and EZH1 over a broad range of epigenetic and non-epigenetic targets, competitive with the cofactor SAM and non-competitive with the peptide substrate. This inhibitor potently reduced H3K27me3 levels in cells and selectively killed diffused large B cell lymphoma cell lines harboring the EZH2Y641N mutant. Importantly, UNC1999 was orally bioavailable in mice, making this inhibitor a valuable tool for investigating the role of EZH2 and EZH1 in chronic animal studies. We also designed and synthesized UNC2400, a close analogue of UNC1999 with potency >1,000-fold lower than that of UNC1999 as a negative control for cell-based studies [1]. MedChem Express HY-15646

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

Density: 1.2±0.1 g/cm3
Boiling Point: 804.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 440.4±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 166.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.17
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): 3.00
ACD/BCF (pH 7.4): 79.95
ACD/KOC (pH 7.4): 533.19
Polar Surface Area: 95 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 460.8±7.0 cm3

Click to predict properties on the Chemicalize site


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