Squarunkin A - ≥99% , CAS No.2101958-02-3

CAS: 2101958-02-3 Cat. No.: S649430 Molecular Weight: 523.55 PubChem CID: 134611887

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Squarunkin A is a potent and selective UNC119-cargo interaction inhibitor, interrupting the UNC119A -myristoylated Src N-terminal peptide interaction ( IC 50 =10 nM). Squarunkin A interferes with the activation of Src kinase in cells

In Vitro

Squarunkin A (2.5 μM, 0.625 μM, 0.078 μM, and 0.01 μM) treatment leads to a concentration-dependent reduction of Src phosphorylation. Squarunkin A does not target the lipoprotein-binding sites of other lipoprotein chaperones, such as PDE6d, AIPL1, and RhoGDI, which bind S-prenylated proteins. Squarunkin A binds to UNC119 in cell lysate and interferes with Src activation. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 10 nM (UNC119A-myristoylated Src N-terminal peptide interaction)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Squarunkin A is a potent and selective UNC119-cargo interaction inhibitor, interrupting the UNC119A -myristoylated Src N-terminal peptide interaction ( IC 50 =10 nM). Squarunkin A interferes with the activation of Src kinase in cells.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
• IUPAC Name: ethyl 4-[[3,4-dioxo-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate
• InChIKey: ZKITWOVRRSBKFG-UHFFFAOYSA-N
• 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
• PubChem CID: 134611887
• Molecular Weight: 523.55

Chemical and Physical Properties

• Solubility: DMSO : 9.62 mg/mL (18.37 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 523.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 523.241 Da
• Monoisotopic Mass: 523.241 Da
• Topological Polar Surface Area: 94.200 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 880.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1