MedKoo Cat#: 525261 | Name: Squarunkin A
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Squarunkin A is a UNC119-cargo interaction inhibitor. 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. Squarunkin A inhibition of the UNC119-cargo interaction might provide new opportunities for modulating the activity of Src kinases that are independent of direct inhibition of the enzymatic kinase activity.

Chemical Structure

Squarunkin A
CAS#2101958-02-3

Theoretical Analysis

MedKoo Cat#: 525261

Name: Squarunkin A

CAS#: 2101958-02-3

Chemical Formula: C25H32F3N5O4

Exact Mass: 523.2406

Molecular Weight: 523.56

Elemental Analysis: C, 57.35; H, 6.16; F, 10.89; N, 13.38; O, 12.22

Price and Availability

Size Price Availability Quantity
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
1g USD 4,650.00 2 Weeks
2g USD 7,650.00 2 Weeks
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Related CAS #
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Synonym
Squarunkin A; SquarunkinA; Squarunkin-A
IUPAC/Chemical Name
Ethyl 4-((3,4-dioxo-2-((2-(4-(3-(trifluoromethyl)-phenyl)-piperazin-1-yl)-ethyl)-amino)-cyclobut-1-en-1-yl)-amino)-piperidine-1-carboxylate
InChi Key
ZKITWOVRRSBKFG-UHFFFAOYSA-N
InChi Code
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
SMILES Code
O=C(N1CCC(NC2=C(NCCN3CCN(C4=CC=CC(C(F)(F)F)=C4)CC3)C(C2=O)=O)CC1)OCC
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 523.56 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Mejuch T, Garivet G, Hofer W, Kaiser N, Fansa EK, Ehrt C, Koch O, Baumann M, Ziegler S, Wittinghofer A, Waldmann H. 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. Epub 2017 May 4. PubMed PMID: 28471079.