T-1101 tosylate (also known as TAI95 tosylate) is a potent inhibitor of Hec1/Nek2 (Highly expressed in cancer 1 / NIMA-related kinase 2) with antitumor activity. T-1101 tosylate has no effect on hERG, kinases or healthy cells.

Physicochemical Properties

Molecular Formula	C31H31N5O6S3
Molecular Weight	665.802743196487
Exact Mass	665.143
Elemental Analysis	C, 55.92; H, 4.69; N, 10.52; O, 14.42; S, 14.45
CAS #	2250404-95-4
Related CAS #	1438638-83-5;2250404-95-4;
PubChem CID	71586372
Appearance	Light yellow to yellow solid powder
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	10
Heavy Atom Count	45
Complexity	836
Defined Atom Stereocenter Count	0
InChi Key	OUJWEAVKLYQREM-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H23N5O3S2.C7H8O3S/c1-15-10-18(34-21-13-26-20(12-27-21)32-9-8-31-3)11-16(2)22(15)19-14-33-24(28-19)29-23(30)17-4-6-25-7-5-17;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,10-14H,8-9H2,1-3H3,(H,28,29,30);2-5H,1H3,(H,8,9,10)
Chemical Name	N-[4-[4-[5-(2-methoxyethoxy)pyrazin-2-yl]sulfanyl-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;4-methylbenzenesulfonic acid
Synonyms	T-1101 tosylate; TAI-95 tosylate; T1101; TAI95;T1101 tosylate; TAI95 tosylate; T 1101; TAI 95
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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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

Targets	Hec1/Nek2
ln Vitro	T-1101 tosylate exhibits significant in vitro antiproliferative activity (IC50: 14.8–21.5 nM)[1]. T-1101 tosylate disrupts the Hec1/Nek2 protein–protein interaction in the cells[1]. T-1101 tosylate (1μM; 3-24 24 hours) decreases the level of Nek2 in a time-dependent manner[1]. T-1101 tosylate (1 M; 24 hours) causes apoptosis[1]. T-1101 tosylate reduces amounts of cell-cycle related proteins cyclin A1, cyclin B1, and cyclin D1[1].
ln Vivo	T-1101 tosylate exhibits good oral bioavailability and thermal stability [1]. Oral co-administration of T-1101 tosylate (2.5 mg/kg; p.o.; twice daily) reduces the dose of sorafenib (25 mg/kg to 12.5 mg/kg) needed to exhibit comparable in vivo activity against Huh-7 xenografts [1]. In mice with various human cancer xenografts, T-1101 tosylate (2.5 mg/kg; p.o.; twice daily) exhibits significant in vivo activity[1].
References	[1]. Discovery of T-1101 tosylate as a first-in-class clinical candidate for Hec1/Nek2 inhibition in cancer therapy. Eur J Med Chem. 2020 Apr 1;191:112118.

Solubility Data

Solubility (In Vitro)

DMSO: 62.5~100 mg/mL (93.87~150.2 mM) Ethanol: ~3 mg/mL (~4.5 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.12 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 20.8 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: ≥ 2.08 mg/mL (3.12 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.5020 mL	7.5098 mL	15.0195 mL
	5 mM	0.3004 mL	1.5020 mL	3.0039 mL
	10 mM	0.1502 mL	0.7510 mL	1.5020 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.