SML2568
XMD8-87
≥98% (HPLC)
别名:
5,11-Dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-11-methyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ACK1-B19
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关于此项目
经验公式（希尔记法）:
C24H27N7O2
化学文摘社编号:
分子量:
445.52
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
SMILES string
N1(CCN(CC1)c2cc(c(cc2)Nc3nc4[n](c5c([c]([nH]c4cn3)=O)cccc5)C)OC)C
InChI
1S/C24H27N7O2/c1-29-10-12-31(13-11-29)16-8-9-18(21(14-16)33-3)27-24-25-15-19-22(28-24)30(2)20-7-5-4-6-17(20)23(32)26-19/h4-9,14-15H,10-13H2,1-3H3,(H,26,32)(H,25,27,28)
InChI key
LGLHCXISMKHLIK-UHFFFAOYSA-N
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
2-8°C
Biochem/physiol Actions
Inhibitor of Ack1 (Activated CDC42 kinase 1, TNK2)
XMD8-87 is a potent and selective inhibitor of Ack1 (Activated CDC42 kinase 1, TNK2), a kinase that regulates cellular attachment and migration and whose over-expression correlates with a more invasive phenotype of cancer cells and predisposition of primary tumor cells to metastasis. XMD8-87 had a Kd of 15 nM against ACK1 and was also found to inhibit murine Ba/F3 tumor cells having leukemia-associated TNK2 mutations. It inhibited TNK2 D163E cells with an IC50 value of 38 nM and TNK2 R806Q cells with an IC50 value of 113 nM.
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
法规信息
新产品
此项目有
Chandrasekhar V Miduturu et al.
Chemistry & biology, 18(7), 868-879 (2011-08-02)
Selective protein kinase inhibitors have only been developed against a small number of kinase targets. Here we demonstrate that "high-throughput kinase profiling" is an efficient method for the discovery of lead compounds for established as well as unexplored kinase targets.
Development and Repurposing of Small-Molecule Kinase Inhibitors to Target Novel Leukemogenic TNK2 Mutations
Maxson JE., Melissa AL, Wang J, Deng X, Luty SB, Sun H, Gorenstein J, Middleton R, Gray NS, et al
Blood, 124, 435-435 (2014)
Julia E Maxson et al.
Cancer research, 76(1), 127-138 (2015-12-19)
The amount of genomic information about leukemia cells currently far exceeds our overall understanding of the precise genetic events that ultimately drive disease development and progression. Effective implementation of personalized medicine will require tools to distinguish actionable genetic alterations within
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