PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | merestinib | C30H22F2N6O3

merestinib

  • Molecular FormulaC30H22F2N6O3
  • Average mass552.531 Da
  • Monoisotopic mass552.172119 Da
  • ChemSpider ID29361338

More details:






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

10107
1206799-15-6 [RN]
3-Pyridinecarboxamide, N-[3-fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo- [ACD/Index Name]
5OGS5K699E
LY2801653
LY-2801653
merestinib [INN] [USAN]
merestinib [Spanish] [INN]
mérestinib [French] [INN]
merestinibum [Latin] [INN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 2553
      H303;H313;H317;H333;H334;H335;H383 Axon Medchem 2553
      no pictogram Axon Medchem 2553
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P350 Axon Medchem 2553
      Warning Axon Medchem 2553
    • Bio Activity:

      c-Met/HGFR MedChem Express HY-15514
      LY2801653 is a potent, orally bioavailable, small-molecule inhibitor of c-MET kinase(Ki= 2 nM). MedChem Express http://www.medchemexpress.com/RGB-286638.html, HY-15514
      LY2801653 is a potent, orally bioavailable, small-molecule inhibitor of c-MET kinase(Ki= 2 nM). ;IC50 Value: 2 nM (Ki value) [1];Target: c-Met;In vitro: LY2801653 is a type-II ATP competitive, slow-off inhibitor of MET tyrosine kinase with a dissociation constant (K(i)) of 2 nM, a pharmacodynamic residence time (K(off)) of 0.00132 min(-1) and t(1/2) of 525 min [1]. LY2801653 was found to have potent activity against several other receptor tyrosine oncokinases including MST1R, FLT3, AXL, MERTK, TEK, ROS1, DDR1/2 and against the serine/threonine kinases MKNK1/2.;In vivo: LY2801653 demonstrated in vitro effects on MET pathway-dependent cell scattering and cell proliferation; in vivo anti-tumor effects in MET amplified (MKN45), MET autocrine (U-87MG, and KP4) and MET over-expressed (H441) xenograft models; and in vivo vessel normalization effects [1].Clinical trial: LY2801653 is currently in phase 1 clinical testing in patients with advanced cancer (trial I3O-MC-JSBA, NCT01285037). MedChem Express HY-15514
      Protein Tyrosine Kinase/RTK MedChem Express HY-15514
      Protein Tyrosine Kinase/RTK; MedChem Express HY-15514

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

Density: 1.4±0.1 g/cm3
Boiling Point: 795.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 434.8±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 148.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 555.59
ACD/KOC (pH 5.5): 3208.26
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 555.33
ACD/KOC (pH 7.4): 3206.78
Polar Surface Area: 105 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 389.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement