ChemSpider 2D Image | HTH-01-015 | C26H28N8O

HTH-01-015

  • Molecular FormulaC26H28N8O
  • Average mass468.553 Da
  • Monoisotopic mass468.238617 Da
  • ChemSpider ID32821769

More details:

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

1613724-42-7 [RN]
4,5,13-Trimethyl-2-{[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino}-5,13-dihydro-6H-naphtho[2,3-e]pyrimido[5,4-b][1,4]diazepin-6-on [German] [ACD/IUPAC Name]
4,5,13-Trimethyl-2-{[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino}-5,13-dihydro-6H-naphtho[2,3-e]pyrimido[5,4-b][1,4]diazepin-6-one [ACD/IUPAC Name]
4,5,13-Triméthyl-2-{[1-(4-pipéridinyl)-1H-pyrazol-4-yl]amino}-5,13-dihydro-6H-naphto[2,3-e]pyrimido[5,4-b][1,4]diazépin-6-one [French] [ACD/IUPAC Name]
5,13-Dihydro-4,5,13-trimethyl-2-[[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino]-6H-naphtho[2,3-e]pyrimido[5,4-b][1,4]diazepin-6-one
6H-Naphtho[2,3-e]pyrimido[5,4-b][1,4]diazepin-6-one, 5,13-dihydro-4,5,13-trimethyl-2-[[1-(4-piperidinyl)-1H-pyrazol-4-yl]amino]- [ACD/Index Name]
HTH-01-015
MFCD28167816
(1R,3R)-1,3-bis((tert-butyldimethyl)silanyloxy)-5-[2-(diphenylphosphinoyl)-ethylidene]cyclohexane
[1613724-42-7] [RN]
More...

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

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

    • Safety:

      Sold under license from Dana-Farber Cancer Institute Tocris Bioscience 5622

    • Target Organs:

      PI3K inhibitor TargetMol T2374

    • Bio Activity:

      AMPK MedChem Express HY-12334
      Enzymes Tocris Bioscience 5622
      HTH-01-015 is a potent and selective inhibitor of NUAK1 with IC50 of 100 nM, does not significantly inhibit NUAK2 (IC50 of >10 ?M).; IC50 value: 100 nM [1]; Target: NUAK1; HTH-01-015 did not markedly suppress the activity of any of the other 139 protein kinases evaluated. MedChem Express HY-12334
      Kinases Tocris Bioscience 5622
      NUAK Tocris Bioscience 5622
      NUAK1;NUAK2 TargetMol T2374
      Other Kinases Tocris Bioscience 5622
      PI3K/Akt/mTOR MedChem Express HY-12334
      PI3K/Akt/mTOR Signaling TargetMol T2374
      PI3K/Akt/mTOR; MedChem Express HY-12334
      Potent and selective NUAK1 inhibitor Tocris Bioscience 5622
      Potent and selective NUAK1 inhibitor (IC50 = 100 nM). Exhibits no significant inhibition against a panel of 139 kinases, including ten AMPK family members. Inhibits NUAK1-mediated MYPT1 phosphorylatio n. Also inhibits cell proliferation in U2OS cells in vitro, to a similar extent as NUAK1 knockdown models. Tocris Bioscience 5622
      Potent and selective NUAK1 inhibitor (IC50 = 100 nM). Exhibits no significant inhibition against a panel of 139 kinases, including ten AMPK family members. Inhibits NUAK1-mediated MYPT1 phosphorylation. Also inhibits cell proliferation in U2OS cells in vitro, to a similar extent as NUAK1 knockdown models. Tocris Bioscience 5622

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.2±35.7 °C
Index of Refraction: 1.750
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.78
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): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.27
Polar Surface Area: 91 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 330.2±7.0 cm3

Click to predict properties on the Chemicalize site


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