ChemicalBook--->CAS DataBase List--->761438-38-4

761438-38-4

761438-38-4 Structure

761438-38-4 Structure
IdentificationBack Directory
[Name]

ALK inhibitor 2
[CAS]

761438-38-4
[Synonyms]

ALK inhibitor 2
2-[[5-chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-N-methyl-
2-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
2-[[5-Chloro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-N-methylbenzenesulfonamide
2-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzenesulfonamide
BenzenesulfonaMide, 2-[[5-chloro-2-[[2-Methoxy-4-(4-Methyl-1-piperazinyl)phenyl]aMino]-4-pyriMidinyl]aMino]-N-Methyl-
[Molecular Formula]

C23H28ClN7O3S
[MDL Number]

MFCD23380589
[MOL File]

761438-38-4.mol
[Molecular Weight]

518.03
Chemical PropertiesBack Directory
[Boiling point ]

712.4±70.0 °C(Predicted)
[density ]

1.371±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Powder
[pka]

11.27±0.10(Predicted)
[color ]

White to gray
Hazard InformationBack Directory
[Biological Activity]

ALK inhibitor 2 (compound 18) is a potent, pyrimidine ALK inhibitor. It is a potent testis-specific serine/threonine kinase 2 (TSSK2; IC50=37 nM) and focal adhesion kinase (FAK; IC50=5 nM) inhibitor.
[in vitro]

Testis-specific serine/threonine kinase 2 (TSSK2) is an important target for reversible male contraception. ALK inhibitor 2 (compound 18) contains a methylpiperazine A ring (R1=Me, X=N) and a D ring with R5=methylsulfonamide. ALK inhibitor 2 can undergo metabolic oxidation to form reactive adducts in the presence of glutathione.

[target]

IC50: 37 nM (TSSK2) and 5 nM (FAK)

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