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SML2477

Squarunkin A hydrochloride

≥98% (HPLC)

Synonym(s):

4-[[3,4-Dioxo-2-[[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]amino]-1-cyclobuten-1-yl]amino]-1-piperidinecarboxylic acid ethyl ester, hydrochloride, Ethyl 4-(3,4-dioxo-2-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)ethylamino)cyclobut-1-enylamino)piperidine-1-carboxylate, hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C25H32F3N5O4 · xHCl
CAS Number:
2101958-02-3
Molecular Weight:
523.55 (free base basis)
UNSPSC Code:
12352200
Assay:
≥98% (HPLC)
Form:
powder
Storage condition:
desiccated
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assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

FC(F)(F)c1cc(ccc1)N2CCN(CC2)CCNC3=C(C(=O)C3=O)NC4CCN(CC4)C(=O)OCC

InChI

1S/C25H32F3N5O4/c1-2-37-24(36)33-9-6-18(7-10-33)30-21-20(22(34)23(21)35)29-8-11-31-12-14-32(15-13-31)19-5-3-4-17(16-19)25(26,27)28/h3-5,16,18,29-30H,2,6-15H2,1H3

InChI key

ZKITWOVRRSBKFG-UHFFFAOYSA-N

Biochem/physiol Actions

Non-cytotoxic, potent and specific UNC119-cargo interation blocker that inhibits Lck localization at T-cell immune synpase and Src activation.
Squarunkin A is a non-cytotoxic, potent and specific UNC119-cargo interation blocker (IC50 = 10 nM against 800 nM myristoylated Src N-terminal peptide for GST-UNC119A) that targets UNC119A/B myristoyl-binding pocket without affecting the interaction of geranylgeranylated Rab1 to RhoGDI22, or farnesylated Rheb to PDE6d, AIPL1, and calmodulin. Squarunkin A blocks Lck localization at staphylococcal E enterotoxin-induced Jurkat T-cell synpase (2 μM) and prevents MDA-MB-231 cellular Src activation (37/62% reduced Src pY416 post 24 hr 78/625 nM Squarunkin A incubation) without growth inhibition or apoptosis induction (10 μM for >35 hrs).

wgk

WGK 3

Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable

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