| Identification | Back Directory | [Name]
EMD 534085 | [CAS]
858668-07-2 | [Synonyms]
CS-1076
EMD 534085
EMD 534085;EMD-534085
EMD534085; EMD-534085; EMD 534085.
1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-[2-(dimethylamino)ethyl]urea
N-[2-(Dimethylamino)ethyl]-N'-[[(2R,4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-5-phenyl-9-(trifluoromethyl)-2H-pyrano[3,2-c]quinolin-2-yl]methyl]urea
Urea, N-[2-(dimethylamino)ethyl]-N'-[[(2R,4aS,5R,10bS)-3,4,4a,5,6,10b-hexahydro-5-phenyl-9-(trifluoromethyl)-2H-pyrano[3,2-c]quinolin-2-yl]methyl]- | [Molecular Formula]
C25H31F3N4O2 | [MOL File]
858668-07-2.mol | [Molecular Weight]
476.53 |
| Chemical Properties | Back Directory | [Boiling point ]
609.5±55.0 °C(Predicted) | [density ]
1.195 | [storage temp. ]
Store at -20°C | [solubility ]
DMSO:26.0(Max Conc. mg/mL);54.56(Max Conc. mM) | [form ]
A solid | [pka]
13.78±0.46(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
EMD534085 is a potent and selective inhibitor of the mitotic kinesin-5 with an IC50 of 8 nM. | [in vivo]
In a low dose PK of EMD 534085 in mice the clearance is 1.8 L/h/kg on average, the volume of distribution is 7.4 L/kg and the half life around 2.5 h. The bioavailability in high dose experiments (>10 mg/kg) is always above 50% in mice. Intraperitonal administration of EMD 534085 enables significant systemic exposure in mice leading to a significant tumor growth reduction without toxic side effects[1]. | [IC 50]
Kinesin-5: 8 nM (IC50) | [References]
[1] Schiemann K, et al. The discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1491-5. DOI:10.1016/j.bmcl.2010.01.110
[2] Tang Y, et al. Rapid induction of apoptosis during Kinesin-5 inhibitor-induced mitotic arrest in HL60 cells. Cancer Lett. 2011 Nov 1;310(1):15-24. DOI:10.1016/j.canlet.2011.05.024 |
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