ChemSpider 2D Image | 4-{4-[(2S)-2-Amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol | C15H15I2NO3

4-{4-[(2S)-2-Amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol

  • Molecular FormulaC15H15I2NO3
  • Average mass511.093 Da
  • Monoisotopic mass510.914124 Da
  • ChemSpider ID29407999

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{4-[(2S)-2-Amino-3-hydroxypropyl]-2,6-diiodophenoxy}phenol [ACD/IUPAC Name]
4-{4-[(2S)-2-Amino-3-hydroxypropyl]-2,6-diiodophénoxy}phénol [French] [ACD/IUPAC Name]
4-{4-[(2S)-2-Amino-3-hydroxypropyl]-2,6-diiodphenoxy}phenol [German] [ACD/IUPAC Name]
Benzenepropanol, β-amino-4-(4-hydroxyphenoxy)-3,5-diiodo-, (βS)- [ACD/Index Name]
[1380782-27-3] [RN]
1380782-27-3 [RN]
acetic acid, ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)
T2AA
T2B

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

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

    • Safety:

      Sold under license from St. Jude Childrens Research Hospital Tocris Bioscience 4723

    • Bio Activity:

      Cell Biology Tocris Bioscience 4723
      Cell Metabolism Tocris Bioscience 4723
      DNA, RNA and Protein Synthesis Tocris Bioscience 4723
      PCNA inhibitor Tocris Bioscience 4723
      Proliferating cell nuclear antigen (PCNA) inhibitor; inhibits PCNA/PIP-box peptide interaction (IC50 ~1 ?M). Causes DNA replication stress by stalling DNA replication forks. Inhibits PCNA interaction with DNA polymerase ? and arrests cell growth in S-phase. Suppresses cancer cell growth. Tocris Bioscience 4723
      Proliferating cell nuclear antigen (PCNA) inhibitor; inhibits PCNA/PIP-box peptide interaction (IC50 ~1 ?M). Causes DNA replication stress by stalling DNA replication forks. Inhibits PCNA interaction with DNA polymerase ? and arrests cell growth in S-phase. Suppresses cancer cell growth. Tocris Bioscience 4723
      Proliferating cell nuclear antigen (PCNA) inhibitor; inhibits PCNA/PIP-box peptide interaction (IC50 ~1 muM). Causes DNA replication stress by stalling DNA replication forks. Inhibits PCNA interaction with DNA polymerase delta and arrests cell growth in S-phase. Suppresses cancer cell growth. Tocris Bioscience 4723

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

Density: 2.0±0.1 g/cm3
Boiling Point: 568.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.4±30.1 °C
Index of Refraction: 1.715
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.52
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 4.96
ACD/KOC (pH 7.4): 41.69
Polar Surface Area: 76 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 253.5±3.0 cm3

Click to predict properties on the Chemicalize site


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