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ChemSpider 2D Image | Trametinib | C26H23FIN5O4

Trametinib

  • Molecular FormulaC26H23FIN5O4
  • Average mass615.395 Da
  • Monoisotopic mass615.077881 Da
  • ChemSpider ID9881833

More details:



Featured data source



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

871700-17-3 [RN]
9421
Acetamide, N-[3-[3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-3,4,6,7-tetrahydro-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl]- [ACD/Index Name]
GSK 1120212
GSK1120212
GSK-1120212
Mekinist [Trade name]
N-(3-{3-Cyclopropyl-5-[(2-fluor-4-iodphenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamid [German] [ACD/IUPAC Name]
N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide [ACD/IUPAC Name]
N-(3-{3-Cyclopropyl-5-[(2-fluoro-4-iodophényl)amino]-6,8-diméthyl-2,4,7-trioxo-3,4,6,7-tétrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phényl)acétamide [French] [ACD/IUPAC Name]
More...

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

33E86K87QN [DBID]
CCRIS 4693 [DBID]
PubChem Substance ID 329825761 [DBID]
UNII:33E86K87QN [DBID]
UNII-33E86K87QN [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-46151]
    • Safety:

      20/21/22 Novochemy [NC-46151]
      20/21/36/37/39 Novochemy [NC-46151]
      5 Axon Medchem 1761
      GHS07; GHS09 Novochemy [NC-46151]
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1761
      H332; H403 Novochemy [NC-46151]
      L01XE25 Wikidata Q7833138
      no pictogram Axon Medchem 1761
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1761
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-46151]
      R52/2392 Novochemy [NC-46151]
      Warning Novochemy [NC-46151]
      Warning Axon Medchem 1761
    • Target Organs:

      MEK inhibitor TargetMol T2125
    • Chemical Class:

      A pyridopyrimidine that is used (as its dimethyl sulfoxide addition compound) for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E or V600K mutations, and who have no t received prior BRAF inhibitor treatment. ChEBI CHEBI:75998, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75998
    • Bio Activity:

      MAPK MedChem Express HY-10999
      MAPK ; MedChem Express HY-10999
      MAPK Signaling TargetMol T2125
      MEK MedChem Express HY-10999
      MEK1, MEK2 TargetMol T2125
      Trametinib (GSK1120212; JTP 74057) is a highly specific and potent MEK1/2 inhibitor with IC50 of 0.92 nM/1.8 nM, no inhibition of the kinase activities of c-Raf, B-Raf, ERK1/2. MedChem Express
      Trametinib (GSK1120212; JTP 74057) is a highly specific and potent MEK1/2 inhibitor with IC50 of 0.92 nM/1.8 nM, no inhibition of the kinase activities of c-Raf, B-Raf, ERK1/2.; IC50 value: 0.92 nM/1.8 nM (MEK1/2) [1]; Target: MEK1/2; in vitro: GSK1120212 inhibits the phosphorylation of MBP regardless of the isotype of Raf and MEK, with IC50 ranging from 0.92 nM to 3.4 nM. MedChem Express HY-10999

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.734
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.61
ACD/KOC (pH 5.5): 448.99
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.61
ACD/KOC (pH 7.4): 448.99
Polar Surface Area: 102 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 353.1±5.0 cm3

Click to predict properties on the Chemicalize site






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