ChemSpider 2D Image | TAK-733 | C17H15F2IN4O4

TAK-733

  • Molecular FormulaC17H15F2IN4O4
  • Average mass504.227 Da
  • Monoisotopic mass504.010590 Da
  • ChemSpider ID26327014

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1035555-63-5 [RN]
3-[(2R)-2,3-Dihydroxypropyl]-6-fluor-5-[(2-fluor-4-iodphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-4,7(3H,8H)-dion [German] [ACD/IUPAC Name]
3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methyl-3H,4H,7H,8H-pyrido[2,3-d]pyrimidine-4,7-dione
3-[(2R)-2,3-Dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione [ACD/IUPAC Name]
3-[(2R)-2,3-Dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophényl)amino]-8-méthylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione [French] [ACD/IUPAC Name]
3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
5J61HSP0QJ
Pyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione, 3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methyl- [ACD/Index Name]
TAK-733
(R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      MAPK MedChem Express HY-13449
      MAPK; MedChem Express HY-13449
      MEK MedChem Express HY-13449
      TAK-733 is a potent and selective MEK allosteric site inhibitor for MEK1 with IC50 of 3.2 nM, inactive to Abl1, AKT3, c-RAF, CamK1, CDK2, c-Met, etc. MedChem Express
      TAK-733 is a potent and selective MEK allosteric site inhibitor for MEK1 with IC50 of 3.2 nM, inactive to Abl1, AKT3, c-RAF, CamK1, CDK2, c-Met, etc.; IC50 Value: 3.2 nM [1]; Target: MEK1; in vitro: Sensitivity of cutaneous and uveal melanoma cell lines to TAK733 was investigated. MedChem Express HY-13449
      TAK-733 is a potent and selective MEK allosteric site inhibitor for MEK1 with IC50 of 3.2 nM, inactive to Abl1, AKT3, c-RAF, CamK1, CDK2, c-Met, etc.;IC50 Value: 3.2 nM [1];Target: MEK1;In vitro: Sensitivity of cutaneous and uveal melanoma cell lines to TAK733 was investigated. five cutaneous melanoma cell lines wild type for mutations in NRAS, BRAF, GNAQand GNA11 and only one was highly sensitive to TAK733 with IC50s below 1 nM, while two were considered sensitive with IC50 less than 10 nM. All five uveal melanoma cell lines were sensitive to TAK733 with IC50 values below 10 nM, with three of them being highly sensitive. All these cell lines carried GNAQ or GNA11 driver mutations. Inhibition of oncogenic MAPK signaling through MEK1 and MEK2 by TAK733 results in antitumor activity in vitro against a large subset of melanoma cell lines[1].;In vivo: The in vivo antitumor activity of TAK-733, an investigational potent, selective, non-ATP-competitive allosteric inhibitor of MEK, in co MedChem Express HY-13449

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

Density: 1.9±0.1 g/cm3
Boiling Point: 530.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.6±32.9 °C
Index of Refraction: 1.710
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.58
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.58
Polar Surface Area: 105 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 263.3±7.0 cm3

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