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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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Size/SKUAvailabilityPrice
5 mg
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$91.10
$77.43

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

$77.43

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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.

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This Item
SML1382SML0435SML0620
description

≥98% (HPLC)

description

≥98% (HPLC)

description

≥98% (HPLC)

description

≥98% (HPLC)

form

powder

form

powder

form

powder

form

powder

assay

≥98% (HPLC)

assay

≥98% (HPLC)

assay

≥98% (HPLC)

assay

≥98% (HPLC)

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

room temp

storage temp.

room temp

solubility

DMSO: 2 mg/mL, clear

solubility

DMSO: 25 mg/mL, clear

solubility

DMSO: 5 mg/mL (clear solution; warmed)

solubility

DMSO: 10 mg/mL, clear (warmed)

color

white to beige

color

white to beige

color

white to beige

color

white to beige


Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable



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