Heclin is a HECT E3 ubiquitin ligase inhibitor. Heclin inhibits the expression of multiple HECT ligases in tissue culture cells and may be utilized in gastric cancer research.

Physicochemical Properties

Molecular Formula	C17H17NO3
Molecular Weight	283.321784734726
Exact Mass	283.12
CAS #	890605-54-6
PubChem CID	7464118
Appearance	Off-white to light brown solid powder
Density	1.2±0.1 g/cm3
Boiling Point	495.4±45.0 °C at 760 mmHg
Flash Point	253.4±28.7 °C
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.615
LogP	4.22
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	21
Complexity	397
Defined Atom Stereocenter Count	0
SMILES	CCC1=CC=C(O1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)C
InChi Key	SPTWXRJNCFIDRQ-ZHACJKMWSA-N
InChi Code	InChI=1S/C17H17NO3/c1-3-15-8-9-16(21-15)10-11-17(20)18-14-6-4-13(5-7-14)12(2)19/h4-11H,3H2,1-2H3,(H,18,20)/b11-10+
Chemical Name	(E)-N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	Heclin (10 μM, 1–5 days) affects the IGF1 signaling pathway and the viability of BGC803 and MKN45 cells [1]. In Raw264.7 cells, heclin (7 μM, 1 h) enhances epinecidin-1-mediated MyD88 degradation [2].
Cell Assay	Western Blot Analysis[1] Cell Types: BGC803 and MKN45 cells Tested Concentrations: 10 μM Incubation Duration: 48 h Experimental Results: decreased phosphorylation of Akt.
References	[1]. Mund T, et al. Peptide and small molecule inhibitors of HECT-type ubiquitin ligases. Proc Natl Acad Sci U S A. 2014 Nov 25;111(47):16736-41.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~352.96 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.82 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.82 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.5296 mL	17.6479 mL	35.2958 mL
	5 mM	0.7059 mL	3.5296 mL	7.0592 mL
	10 mM	0.3530 mL	1.7648 mL	3.5296 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.