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
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/h4-8,11,14,18-19,22-23,31H,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
Technical Data
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >5 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
Harmonized System Code: 293490
Additional Information
References
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.
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