WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206035
CAS#: 858668-07-2
Description: EMD534085 is a kinesin inhibitor currently in clinical development.
MedKoo Cat#: 206035
Name: EMD534085
CAS#: 858668-07-2
Chemical Formula: C25H31F3N4O2
Exact Mass: 476.23991
Molecular Weight: 476.53
Elemental Analysis: C, 63.01; H, 6.56; F, 11.96; N, 11.76; O, 6.71
EMD534085, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.
Synonym: EMD534085; EMD;534085; EMD 534085.
IUPAC/Chemical Name: 1-(2-(dimethylamino)ethyl)-3-(((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methyl)urea
InChi Key: MARIUIDCPUZLKZ-FUKQBSRTSA-N
InChi Code: InChI=1S/C25H31F3N4O2/c1-32(2)13-12-29-24(33)30-15-18-9-10-19-22(16-6-4-3-5-7-16)31-21-11-8-17(25(26,27)28)14-20(21)23(19)34-18/h3-8,11,14,18-19,22-23,31H,9-10,12-13,15H2,1-2H3,(H2,29,30,33)/t18-,19+,22+,23+/m1/s1
SMILES Code: O=C(NC[C@H]1CC[C@@]2([H])[C@H](C3=CC=CC=C3)NC4=C(C=C(C(F)(F)F)C=C4)[C@@]2([H])O1)NCCN(C)C
The following data is based on the product molecular weight 476.53 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Orth JD, Loewer A, Lahav G, Mitchison TJ. Prolonged mitotic arrest triggers partial activation of apoptosis, resulting in DNA damage and p53 induction. Mol Biol Cell. 2012 Feb;23(4):567-76. doi: 10.1091/mbc.E11-09-0781. Epub 2011 Dec 14. PubMed PMID: 22171325; PubMed Central PMCID: PMC3279386.
2: Tang Y, Orth JD, Xie T, Mitchison TJ. 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. Epub 2011 Jun 24. PubMed PMID: 21782324; PubMed Central PMCID: PMC3155259.
3: Schiemann K, Finsinger D, Zenke F, Amendt C, Knöchel T, Bruge D, Buchstaller HP, Emde U, Stähle W, Anzali S. 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. Epub 2010 Jan 25. PubMed PMID: 20149654.