TAI-1 (TAI 1; TAI1) is a selective Hec1 (High expression in cancer 1) inhibitor with potential anticancer activity. It inhibits the Hec1-Nek2 protein-protein interaction with a GI50 of 13.48 nM in K562 cells, which is >1000-fold higher than that of INH1 (GI50 =11.7 μM). TAI-1 showed strong anti-proliferative activity in vitro against a broad spectrum of cancer cells.

Physicochemical Properties

Molecular Formula	C24H21N3O3S
Molecular Weight	431.51
Exact Mass	431.13
CAS #	1334921-03-7
Related CAS #	1334921-03-7
PubChem CID	53389629
Appearance	White to off-white solid powder
LogP	5.948
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	31
Complexity	568
Defined Atom Stereocenter Count	0
InChi Key	NBNNDUZYMXBCOX-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H21N3O3S/c1-15-12-20(30-19-6-4-18(29-3)5-7-19)13-16(2)22(15)21-14-31-24(26-21)27-23(28)17-8-10-25-11-9-17/h4-14H,1-3H3,(H,26,27,28)
Chemical Name	N-[4-[4-(4-Methoxyphenoxy)-2,6-dimethylphenyl]-2-thiazolyl]-4-pyridinecarboxamide
Synonyms	TAI1; TAI 1; TAI-1
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	TAI-1 causes apoptotic cell death, major chromosomal misalignment in metaphase, disruption of the Hec1-Nek2 protein connection, and Nek2 degradation[1]. According to evidence that TAI-1 triggers the activation of apoptotic pathways, it causes cancer cells to die by cleaving the apoptotic proteins Caspase 3 and PARP and degrading the anti-apoptotic protein MCL-1. With GI50 less than 100 nM, TAI-1 is effective against a wide range of cancer cells, including those with chronic myeloid leukemia, cervical cancer, breast cancer, metastatic-pleural, invasive ductal carcinoma, acute myeloid leukemia, myelogenous leukemia, and colorectal carcinoma cells[1].
ln Vivo	In several cancer xenograft models, TAI-1 (20 mg/kg intravenously IV; 150 mg/kg oral PO/BID) suppresses tumor growth[1].
Animal Protocol	Animal/Disease Models: CB-17 SCID (severe combined immunodeficient) mouse (6-7 weeks, 21- 24 g)[1]. Doses: 20 mg/kg intravenously (iv)IV/ or 150 mg/kg per oral PO/BID. Route of Administration: QDx28 cycles. Experimental Results: Led to significant tumor growth retardation in Huh-7 and modest tumor inhibition was noted tor the Colo205 and MDA-MB-231 models. Did not lead to any loss in body weight.
References	[1]. Characterization of the Biological Activity of a Potent Small Molecule Hec1 Inhibitor TAI-1. J Exp Clin Cancer Res. 2014 Jan 9;33(1):6.

Solubility Data

Solubility (In Vitro)

DMSO: 86 mg/mL (199.3 mM) Water:<1 mg/mL Ethanol:<1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.79 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	2.3174 mL	11.5872 mL	23.1744 mL
	5 mM	0.4635 mL	2.3174 mL	4.6349 mL
	10 mM	0.2317 mL	1.1587 mL	2.3174 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.