1234480-46-6

1234480-46-6 structure

Name: XMD 8-87
Chemical Name: 2-{[2-Methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
CAS Number: 1234480-46-6
Molecular Formula: C₂₄H₂₇N₇O₂
Molecular Weight: 445.517
Catalog: Signaling Pathways Metabolic Enzyme/Protease Tyrosinase
Create Date: 2018-05-30 07:14:48
Modify Date: 2024-01-09 11:23:09
XMD8-87 is a potent TNK2 inhibitor with IC50 values of 38 and 113 nM for the D163E and R806Q mutations, respectively.

Name	2-{[2-Methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
Synonyms	6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-11-methyl- 2-{[2-Methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one XMD8-87

Description	XMD8-87 is a potent TNK2 inhibitor with IC50 values of 38 and 113 nM for the D163E and R806Q mutations, respectively.
Related Catalog	Signaling Pathways >> Metabolic Enzyme/Protease >> Tyrosinase Research Areas >> Cancer
Target	IC50: 38 nM (TNK2, D163E mutation), 113 nM (TNK2, R806Q mutation)[1]
In Vitro	XMD8-87 potently inhibits the growth of the TNK2 mutant expressing cell lines while having little or no effect on the control cells out to the highest tested concentrations (1,000 nM). XMD8-87 has IC50s of 38 nM and 113 nM for the D163E and R806Q mutations. The effects of XMD8-87 on TNK2 cell lines are largely due to on-target effects on TNK2. Auto-phosphorylation of overexpressed TNK2 mutants could be blocked with TNK2 inhibitor XMD8-87[1].
Kinase Assay	Kinase targets are tested with biochemical enzymatic kinase assays using the SelectScreen Kinase Profiling Service to determine IC50 values. The compounds (XMD8-87) are assayed at 10 concentrations (3-fold serial dilutions starting from 1 μM) at an ATP concentration equal to the ATP Km[1].
Cell Assay	Cells are treated with the following inhibitors for 72 hours: dasatinib, AIM-100, XMD8-87 and XMD16-5. Cell viability is measured using a methanethiosulfonate (MTS)-based assay and absorbance (490 nm) is read at 1 and 3 hours after adding reagent[1].
References	[1]. Maxson JE, et al. Identification and Characterization of Tyrosine Kinase Nonreceptor 2 Mutations in Leukemia through Integration of Kinase Inhibitor Screening and Genomic Analysis.

Density	1.3±0.1 g/cm3
Molecular Formula	C₂₄H₂₇N₇O₂
Molecular Weight	445.517
Exact Mass	445.222626
LogP	1.23
Index of Refraction	1.648
Storage condition	-20℃

Hazard Codes	N

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