INH1 (also called IBT-13131; INH-1; IBT13131) is a potent and cell-permeable Hec1 (High expression in cancer 1) inhibitor with potential anticancer activity. It acts by specifically disrupting the Hec1/Nek2 protein-protein interaction.

Physicochemical Properties

Molecular Formula	C18H16N2OS
Molecular Weight	308.40
Exact Mass	308.098
CAS #	313553-47-8
Related CAS #	313553-47-8
PubChem CID	959043
Appearance	White to off-white solid powder
Density	1.2±0.1 g/cm3
Index of Refraction	1.657
LogP	5.24
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	22
Complexity	383
Defined Atom Stereocenter Count	0
InChi Key	JPMOKRWIYQGMJL-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H16N2OS/c1-12-8-9-15(13(2)10-12)16-11-22-18(19-16)20-17(21)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
Chemical Name	N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
Synonyms	IBT-13131;INH-1;IBT 13131;INH 1;IBT13131;INH1
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	When Hec1 was treated with INH1 (25 μM) for 24 hours, the global level of Nek2 protein decreased and Hec1's association with the kinetochore was lessened[1]. In MDA-MB-468 cells, 15 μM in SKBR3 cells, 10.5 μM in T47D cells, 20.5 μM in MDA-MB-361 cells, 15 μM in ZR-75-1 cells, 15 μM in HBL 100 cells, 15.5 μM in MDA-MB-435 cells, 11 μM in HS578T cells, and 41 μM in MCF10A cells, respectively, are the GI50 values for INH1[1]. In the dose-dependent transwell migration assays using MDA-MB-231 cells, INH1 (5k) has an IC50 value of 176 nM. INH1 (5k) significantly lowers cellular f-actin and inhibits fascin from localizing to membrane protrusions that are rich in actin[2]. INH1 causes aberrant cell apoptosis and mitotic processes[3].
ln Vivo	In nude mice using a xenografted breast cancer model, INH1 (50 or 100 mg/kg, ip, every other day/25 cycles) suppresses the formation of tumors[1].
Cell Assay	Cell Cytotoxicity Assay[1] Cell Types: MCF10A cells. Tested Concentrations: 10 μM. Incubation Duration: 12 days. Experimental Results: Effectively inhibits the proliferation of human breast cancer lines. Western Blot Analysis[1] Cell Types: MCF10A cells. Tested Concentrations: 25 μM. Incubation Duration: 24 h. Experimental Results: Nek2 reduction in INH1-treated cells may be independent of Hec1.
Animal Protocol	Animal/Disease Models: Xenografted nude mice breast cancer model[1]. Doses: 50 or 100 mg/kg. Route of Administration: IP, every other day/25 cycles. Experimental Results: Inhibited tumor growth.
References	[1]. Small molecule targeting the Hec1/Nek2 mitotic pathway suppresses tumor cell growth in culture and in animal. Cancer Res. 2008 Oct 15;68(20):8393-9. [2]. Discovery of a Series of Thiazole Derivatives as Novel Inhibitors of Metastatic Cancer Cell Migration and Invasion. ACS Med Chem Lett. 2013 Feb 14; 4(2): 191–196. [3]. Small Molecule TH-39 Potentially Targets Hec1/Nek2 Interaction and Exhibits Antitumor Efficacy in K562 Cells via G0/G1 Cell Cycle Arrest and Apoptosis Induction. Cell Physiol Biochem. 2016;40(1-2):297-308.

Solubility Data

Solubility (In Vitro)

DMSO:61 mg/mL (197.8 mM) Water:<1 mg/mL Ethanol:61 mg/mL (197.8 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.11 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 (8.11 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	3.2425 mL	16.2127 mL	32.4254 mL
	5 mM	0.6485 mL	3.2425 mL	6.4851 mL
	10 mM	0.3243 mL	1.6213 mL	3.2425 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.