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2101958-02-3

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2101958-02-3 Structure

2101958-02-3 Structure
IdentificationBack Directory
[Name]

Squarunkin A
[CAS]

2101958-02-3
[Synonyms]

Squarunkin A
1-Piperidinecarboxylic acid, 4-[[3,4-dioxo-2-[[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]amino]-1-cyclobuten-1-yl]amino]-, ethyl ester
[Molecular Formula]

C25H32F3N5O4
[MDL Number]

MFCD32066931
[MOL File]

2101958-02-3.mol
[Molecular Weight]

523.55
Chemical PropertiesBack Directory
[Boiling point ]

629.1±65.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

7.22±0.10(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

Squarunkin A is a potent and selective UNC119-cargo interaction inhibitor, interrupting the UNC119A-myristoylated Src N-terminal peptide interaction (IC50=10 nM). Squarunkin A interferes with the activation of Src kinase in cells[1].
[References]

[1] Tom Mejuch, et al. Small-Molecule Inhibition of the UNC119-Cargo Interaction. Angew Chem Int Ed Engl. 2017 May 22;56(22):6181-6186. DOI:10.1002/anie.201701905
Spectrum DetailBack Directory
[Spectrum Detail]

Squarunkin A(2101958-02-3)1HNMR
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