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1234480-46-6

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1234480-46-6 Structure

1234480-46-6 Structure
IdentificationBack Directory
[Name]

ACK1-B19
[CAS]

1234480-46-6
[Synonyms]

XMD8-87
CS-2588
ACK1-B19
XMD-8-87;XMD8 87;XMD 8 87
2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)-11-methyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one
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
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-
[Molecular Formula]

C24H27N7O2
[MDL Number]

MFCD30742941
[MOL File]

1234480-46-6.mol
[Molecular Weight]

445.52
Chemical PropertiesBack Directory
[density ]

1.283±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 1 mg/ml; DMSO: 1 mg/ml; Ethanol: 1 mg/ml
[form ]

A crystalline solid
[pka]

10.18±0.20(Predicted)
[color ]

White to yellow
[InChIKey]

LGLHCXISMKHLIK-UHFFFAOYSA-N
[SMILES]

N1(CCN(CC1)c2cc(c(cc2)Nc3nc4[n](c5c([c]([nH]c4cn3)=O)cccc5)C)OC)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

XMD8-87 is an inhibitor of tyrosine kinase non-receptor 2 (TNK2) with an IC50 value of 1.9 μM in HEK293T cells expressing human TNK2. It is selective for TNK2 over a panel of approximately 100 kinases with >90 and <50% inhibition for TNK2 and all other kinases tested, respectively. XMD8-87 inhibits growth of Ba/F3 cells expressing constitutively active mutant TNK2s (IC50s = 0.1-77 nM) commonly found in leukemias but has no effect on cells expressing wild-type TNK2 (IC50 = >1 μM).
[Uses]

XMD8-87 is used in the studies of benzopyrimidodiazepinones as most selective and potent ERK5 inhibitor.
[References]

[1] MAXSON J E, ABEL M L, WANG J, et al. Data from Identification and Characterization of Tyrosine Kinase Nonreceptor 2 Mutations in Leukemia through Integration of Kinase Inhibitor Screening and Genomic Analysis[C]//1 1. 2023: 0. DOI: 10.1158/0008-5472.c.6507081
Spectrum DetailBack Directory
[Spectrum Detail]

ACK1-B19(1234480-46-6)1HNMR
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