ChemSpider 2D Image | Taladegib | C26H24F4N6O

Taladegib

  • Molecular FormulaC26H24F4N6O
  • Average mass512.502 Da
  • Monoisotopic mass512.194763 Da
  • ChemSpider ID26323626

More details:

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

1258861-20-9 [RN]
4-Fluor-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl}-2-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
4-Fluoro-N-méthyl-N-{1-[4-(1-méthyl-1H-pyrazol-5-yl)-1-phtalazinyl]-4-pipéridinyl}-2-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
4-Fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl}-2-(trifluoromethyl)benzamide [ACD/IUPAC Name]
4-Fluoro-N-Methyl-N-{1-[4-(1-Methyl-1h-Pyrazol-5-Yl)phthalazin-1-Yl]piperidin-4-Yl}-2-(Trifluoromethyl)benzamide
Benzamide, 4-fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)- [ACD/Index Name]
LY 2940680
LY2940680
QY8BWX1LJ5
taladegib [Spanish] [INN]
More...

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

9826 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      Hedgehog/Smoothened Receptor antagonist TargetMol T2666

    • Bio Activity:

      Hedgehog/Smoothened Receptor TargetMol T2666
      LY2940680 binds to the Smoothened (Smo) receptor and potently inhibits Hedgehog (Hh) signaling. MedChem Express
      LY2940680 binds to the Smoothened (Smo) receptor and potently inhibits Hedgehog (Hh) signaling.; IC50 value:; Target: Smo; in vitro: LY2940680 inhibits cancer growth in cell lines containing a mutation in the gene encoding Smoothened that researchers had previously observed in patient with cancer who developed resistance to vismodegib.; in vivo: LY2940680 has excellent pharmacokinetic properties in rodent and non-rodent species. MedChem Express HY-13242
      LY2940680 binds to the Smoothened (Smo) receptor and potently inhibits Hedgehog (Hh) signaling.;IC50 value:;Target: Smo;In vitro: LY2940680 inhibits cancer growth in cell lines containing a mutation in the gene encoding Smoothened that researchers had previously observed in patient with cancer who developed resistance to vismodegib.;In vivo: LY2940680 has excellent pharmacokinetic properties in rodent and non-rodent species. LY2940680 administrated orally treats Ptch+/- p53-/- transgenic mice which spontaneously develop medulloblastoma, produces remarkable efficacy and significantly improves their survival. LY2940680 reveals rapid kinetics of anti-tumor activity through magnetic resonance imaging of these mice, and LY2940680 induces Caspase-3 activity and reduces proliferation by immunohistochemistry analysis of medulloblastoma tumors. LY2940680 inhibits Hh regulated gene expression in the subcutaneous xenograft tumor stroma and produces significant anti-tumor activity [2]. MedChem Express HY-13242
      Smo MedChem Express HY-13242
      Stem Cell TargetMol T2666
      Wnt/Hedgehog/Notch MedChem Express HY-13242
      Wnt/Hedgehog/Notch; MedChem Express HY-13242

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

Density: 1.4±0.1 g/cm3
Boiling Point: 703.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 131.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 13.14
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 59.61
ACD/KOC (pH 7.4): 390.75
Polar Surface Area: 67 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 367.0±7.0 cm3

Click to predict properties on the Chemicalize site


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