ChemSpider 2D Image | MK-8033 | C25H21N5O3S

MK-8033

  • Molecular FormulaC25H21N5O3S
  • Average mass471.531 Da
  • Monoisotopic mass471.136505 Da
  • ChemSpider ID25069692

More details:






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

1-[3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(2-pyridinylmethyl)methanesulfonamide [ACD/IUPAC Name]
1-[3-(1-Méthyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(2-pyridinylméthyl)méthanesulfonamide [French] [ACD/IUPAC Name]
1-[3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(2-pyridinylmethyl)methansulfonamid [German] [ACD/IUPAC Name]
1001917-37-8 [RN]
5H-Benzo[4,5]cyclohepta[1,2-b]pyridine-7-methanesulfonamide, 3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-N-(2-pyridinylmethyl)- [ACD/Index Name]
MK-8033
[1001917-37-8]
1-(3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide
1-[2-(1-methylpyrazol-4-yl)-11-oxobenzo[1,2]cyclohepta[2,4-b]pyridin-9-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
1-[5-(1-methyl-1H-pyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

350H6PBQ5Q [DBID]
UNII:350H6PBQ5Q [DBID]
UNII-350H6PBQ5Q [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      c-Met/HGFR MedChem Express HY-13299
      MK8033 is a novel and specific dual ATP competitive c-Met/Ron inhibitor (IC50=1 nM Wt c-Met) under investigation as a treatment for cancer. MedChem Express
      MK8033 is a novel and specific dual ATP competitive c-Met/Ron inhibitor (IC50=1 nM Wt c-Met) under investigation as a treatment for cancer.; IC50 Value: 1 nM (Wt c-Met); 2.0 nM (c-Met N1100Y) [1]; Target: c-Met/Ron; in vitro: MK-8033 binds 3-fold more tightly to phosphorylated c-Met kinase domain (Kd= 3.2 nM) than to its unphosphorylated counterpart (Kd = 10.4 nM). MedChem Express HY-13299
      MK8033 is a novel and specific dual ATP competitive c-Met/Ron inhibitor (IC50=1 nM Wt c-Met) under investigation as a treatment for cancer.;IC50 Value: 1 nM (Wt c-Met); 2.0 nM (c-Met N1100Y) [1];Target: c-Met/Ron;In vitro: MK-8033 binds 3-fold more tightly to phosphorylated c-Met kinase domain (Kd= 3.2 nM) than to its unphosphorylated counterpart (Kd = 10.4 nM). Signigicantly, MK-8033 potently inhibits kinase activity of three oncogenic c-Met activation loop mutants, Y1230C, Y1230H, and Y1235D (IC50s ranging from 0.6 to 1 nM at 50 uM ATP) in addition to other c-Met activating mutants N1100Y and M1250T. MK-8033 potently inhibited GTL-16 proliferation with an IC50 of 582 ? 30 nM. By contrast the HCT116 cell line, which does not harbor basal c-Met activation, was not inhibited by MK-8033 (IC50 > 10000 nM) [1]. MK-8033 radiosensitized the high-c-Met-expressing EBC-1 and H1993 cells but not the low-c-Met-expressing cell lines A549 and H460. However, irradiation of A549 and H460 cells in MedChem Express HY-13299
      Protein Tyrosine Kinase/RTK MedChem Express HY-13299
      Protein Tyrosine Kinase/RTK; MedChem Express HY-13299

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

Density: 1.4±0.1 g/cm3
Boiling Point: 761.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 414.0±35.7 °C
Index of Refraction: 1.706
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.59
ACD/KOC (pH 5.5): 223.09
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.63
ACD/KOC (pH 7.4): 223.63
Polar Surface Area: 115 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 338.4±7.0 cm3

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