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Chemical structure of Squarunkin A

GB40374

Squarunkin A

Also known as ethyl 4-[[3,4-dioxo-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate

Squarunkin A selectively inhibits the binding of a myristoylated peptide representing the N-terminus of Src kinase to UNC119A with an IC50 value of 10 nM· It binds to UNC119 proteins in cell lysate and interferes with the activation of Src kinase

ChemicalCAS2101958-02-3MW523.55FormulaC25H32F3N5O4
CAS number
2101958-02-3
Molecular weight
523.55
Formula
C25H32F3N5O4
InChIKey
ZKITWOVRRSBKFG-UHFFFAOYSA-N
Catalogue number
GB40374
Brand
GLPBIO
Computed properties PubChem CID 134611887 · XLogP 3.3 · TPSA 94.2 Ų · H-bond donors 2
XLogP
3.3
TPSA
94.2 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
37

SMILES CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Computed descriptors from PubChem (CID 134611887), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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