ChemSpider 2D Image | MLN2480 | C17H12Cl2F3N7O2S

MLN2480

  • Molecular FormulaC17H12Cl2F3N7O2S
  • Average mass506.289 Da
  • Monoisotopic mass505.010223 Da
  • ChemSpider ID28637796

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1096708-71-2 [RN]
4-Pyrimidinecarboxamide, 6-amino-5-chloro-N-[(1R)-1-[5-[[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]carbonyl]-2-thiazolyl]ethyl]- [ACD/Index Name]
6-Amino-5-chlor-N-[(1R)-1-(5-{[5-chlor-4-(trifluormethyl)-2-pyridinyl]carbamoyl}-1,3-thiazol-2-yl)ethyl]-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
6-Amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl}-1,3-thiazol-2-yl)ethyl]-4-pyrimidinecarboxamide [ACD/IUPAC Name]
6-Amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluorométhyl)-2-pyridinyl]carbamoyl}-1,3-thiazol-2-yl)éthyl]-4-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
BIIB-024
MLN2480
ZN90E4027M
(R)-2-(1-(6-amino-5-chloropyrimidine-4-carboxamido)ethyl)-N-(5-chloro-4-(trifluoromethyl)pyridin-2-yl)thiazole-5-carboxamide
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyri din-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in cl inical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults. ChEBI CHEBI:167672

    • Bio Activity:

      MAPK MedChem Express HY-15246
      MAPK; MedChem Express HY-15246
      MLN 2480(BIIB-024) is an oral, selective pan-Raf kinase inhibitor in chinical trials. MedChem Express
      MLN 2480(BIIB-024) is an oral, selective pan-Raf kinase inhibitor in chinical trials.; IC50 value:; Target: pan-Raf; in vitro: MLN-2480 is active against wild-type B-raf and B-raf Val600Glu in vitro. MedChem Express HY-15246
      MLN 2480(BIIB-024) is an oral, selective pan-Raf kinase inhibitor in chinical trials.;IC50 value:;Target: pan-Raf;In vitro: MLN-2480 is active against wild-type B-raf and B-raf Val600Glu in vitro. MLN-2480 is found to activate phosphorylated MEK at very low concentrations, but at higher concentrations MLN-2480 inhibits this same activity. MLN-2480 inhibits signaling pathway at high concentrations in the human malignant melanoma A-375 mutant B-raf Val600Glu cell line. The inhibitory effects of MLN-2480 are found to vary across models and genetic contexts; MLN-2480 only modestly inhibits PRAK. MLN-2480 in combination with TAK-733 demonstrates synergy in NRAS mutant human malignant melanoma cell lines (SK-MEL-2), with high levels of apoptotic biomarkers observed.;In vivo: MLN-2480 (37.5 mg/kg) is well tolerated in a tumor xenograft model. The combination of MLN-2480 (12.5 mg) and TAK-733 (1 mg/kg) is effective in an SK-MEL-30 xenograft model, but monotherapy with either compound prod MedChem Express HY-15246
      Raf MedChem Express HY-15246

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

Density: 1.6±0.1 g/cm3
Boiling Point: 585.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 113.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.16
ACD/KOC (pH 5.5): 787.66
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.91
ACD/KOC (pH 7.4): 785.07
Polar Surface Area: 164 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 308.7±3.0 cm3

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