ChemSpider 2D Image | mg149 | C22H28O3


  • Molecular FormulaC22H28O3
  • Average mass340.456 Da
  • Monoisotopic mass340.203857 Da
  • ChemSpider ID25046225

More details:

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

2-[2-(4-Heptylphenyl)ethyl]-6-hydroxybenzoesäure [German] [ACD/IUPAC Name]
2-[2-(4-Heptylphenyl)ethyl]-6-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 2-[2-(4-heptylphényl)éthyl]-6-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-(4-heptylphenyl)ethyl]-6-hydroxy- [ACD/Index Name]
1243583-85-8 [RN]
2-(4-heptylphenethyl)-6-hydroxybenzoic acid
2-[2-(4-heptylphenyl)ethyl]-6-hydroxy-benzoic acid
9031-11-2 [RN]

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

PubChem Substance ID 329825761 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1785
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1785
      no pictogram Axon Medchem 1785
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1785
      Warning Axon Medchem 1785
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15887
      Cell Cycle/DNA Damage; MedChem Express HY-15887
      Histone Acetyltransferases (HATs) MedChem Express HY-15887
      MG149 is a selective and potent Tip60 inhibitor with IC50 of 74 uM, similar potentcy for MOF(IC50= 47 uM); little potent for PCAF and p300(IC50 >200 uM).; IC50 value: 74/47 uM (Tip60/MOF) [1]; Target: Tip60/MOF; MG 149, at 200 ?M, inhibited about 90% of Tip60 activity but had no inhibitory impact on p300 and PCAF. MedChem Express HY-15887

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 477.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 256.9±21.9 °C
Index of Refraction: 1.572
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 1143.22
ACD/KOC (pH 5.5): 791.42
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 691.61
ACD/KOC (pH 7.4): 478.79
Polar Surface Area: 58 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 309.3±3.0 cm3

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