ChemSpider 2D Image | 7ACC2 | C18H15NO4

7ACC2

  • Molecular FormulaC18H15NO4
  • Average mass309.316 Da
  • Monoisotopic mass309.100098 Da
  • ChemSpider ID30838842

More details:

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

1472624-85-3 [RN]
2H-1-Benzopyran-3-carboxylic acid, 7-[methyl(phenylmethyl)amino]-2-oxo- [ACD/Index Name]
7-[Benzyl(methyl)amino]-2-oxo-2H-chromen-3-carbonsäure [German] [ACD/IUPAC Name]
7-[Benzyl(methyl)amino]-2-oxo-2H-chromene-3-carboxylic acid [ACD/IUPAC Name]
7-[benzyl(methyl)amino]-2-oxochromene-3-carboxylic acid
7ACC2
Acide 7-[benzyl(méthyl)amino]-2-oxo-2H-chromène-3-carboxylique [French] [ACD/IUPAC Name]
compound 19 [PMID: 24095010]
7-(benzyl(methyl)amino)-2-oxo-2H-chromene-3-carboxylic acid
7-?[methyl(phenylmethyl?)?amino]?-?2-?oxo-2H-?1-?Benzopyran-?3-?carboxylic acid
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      MCT inhibitor TargetMol T1768

    • Bio Activity:

      7ACC2 is a new potent MCT inhibitor with IC50 of 11 nM for inhibition of [14C]-lactate influx; new antitumor treatment targeting lactate transport in cancer cells.; IC50 value: 11 nM ([14C]-lactate influx) [1]; Target: MCT inhibitor; lactate transport inhibitor; 7ACC2 did not influence the prothrombin time which, together with a good in vitro ADME profile, supports the potential of this new family of compounds to act as anticancer drugs through inhibition of lactate flux. MedChem Express HY-D0713
      7ACC2 is a new potent MCT inhibitor with IC50 of 11 nM for inhibition of [14C]-lactate influx; new antitumor treatment targeting lactate transport in cancer cells.;IC50 value: 11 nM ([14C]-lactate influx) [1];Target: MCT inhibitor; lactate transport inhibitor7ACC2 did not influence the prothrombin time which, together with a good in vitro ADME profile, supports the potential of this new family of compounds to act as anticancer drugs through inhibition of lactate flux. Protocol(Only for Reference) [1]Cell assay(Cytotoxicity):SiHa cells (human cervix squamous carcinoma) were routinelycultured in DMEM containing serum and antibiotics. Two distinct media were used for the cytotoxicity assay, either DMEM containing 25 mM D-glucose (without pyruvate) or DMEM containing 10 mM L-lactate (without glucose). SiHa cells were seeded in flat-bottom 96-well plates in normal DMEM. After 6 h incubation, the culture medium was replaced by 100 ll of glucose- (with or without 1 mM pyruvate) MedChem Express HY-D0713
      lactate transport TargetMol T1768
      MCT MedChem Express HY-D0713
      Membrane Tranporter/Ion Channel MedChem Express HY-D0713
      Membrane Tranporter/Ion Channel; MedChem Express HY-D0713
      Membrane Transporter/Ion Channel TargetMol T1768

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

Density: 1.4±0.1 g/cm3
Boiling Point: 548.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.8±30.1 °C
Index of Refraction: 1.672
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 226.0±3.0 cm3

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