ChemSpider 2D Image | Tilfrinib | C17H13N3O

Tilfrinib

  • Molecular FormulaC17H13N3O
  • Average mass275.305 Da
  • Monoisotopic mass275.105865 Da
  • ChemSpider ID34221766

More details:

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

1600515-49-8 [RN]
3-(9H-Pyrido[2,3-b]indol-4-ylamino)phenol [German] [ACD/IUPAC Name]
3-(9H-Pyrido[2,3-b]indol-4-ylamino)phenol [ACD/IUPAC Name]
3-(9H-Pyrido[2,3-b]indol-4-ylamino)phénol [French] [ACD/IUPAC Name]
Phenol, 3-(9H-pyrido[2,3-b]indol-4-ylamino)- [ACD/Index Name]
Tilfrinib
[1600515-49-8] [RN]
3-(9H-pyrido[2,3-b]indol-4-ylamino)-phenol
MFCD30011871

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

CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
UN1544 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      Sold under license from Martin-Luther-Universit?t-Halle-Wittenburg Tocris Bioscience 5579

    • Bio Activity:

      Enzymes Tocris Bioscience 5579
      Kinases Tocris Bioscience 5579
      Other Kinases Tocris Bioscience 5579
      Potent and selective breast tumor kinase (Brk) inhibitor Tocris Bioscience 5579
      Potent and selective breast tumor kinase (Brk) inhibitor (IC50 = 3.15 nM). Exhibits >1000-fold selectivity for Brk over a panel of other kinases. Inhibits proliferation of breast cancer cells in vitro. Tocris Bioscience 5579
      Potent and selective breast tumor kinase (Brk, also known as tyrosine-protein kinase 6, PTK6) inhibitor (IC50 = 3.15 nM). Exhibits >1000-fold selectivity for Brk over a panel of other kinases. Inhibits proliferation of breast cancer cells in vitro. Tocris Bioscience 5579
      Src Kinases Tocris Bioscience 5579

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

Density: 1.4±0.1 g/cm3
Boiling Point: 560.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 292.8±25.9 °C
Index of Refraction: 1.839
Molar Refractivity: 85.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 81.22
ACD/KOC (pH 5.5): 530.75
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.98
ACD/KOC (pH 7.4): 2241.24
Polar Surface Area: 61 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 78.8±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

Click to predict properties on the Chemicalize site


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