SML2568
XMD8-87
≥98% (HPLC)
Synonym(s):
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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About This Item
Empirical Formula (Hill Notation):
C24H27N7O2
CAS Number:
Molecular Weight:
445.52
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
2-8°C
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
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.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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