WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 463459
CAS#: 2250404-95-4 (tosylate)
Description: T-1101 tosylate is a Hec1/Nek2 (Highly expressed in cancer 1 / NIMA-related kinase 2) inhibitor with antitumor activity. T-1101 tosylate is inactive toward normal cells, kinases and hERG.
MedKoo Cat#: 463459
Name: T-1101 tosylate
CAS#: 2250404-95-4 (tosylate)
Chemical Formula: C31H31N5O6S3
Exact Mass: 665.1436
Molecular Weight: 665.798
Elemental Analysis: C, 55.92; H, 4.69; N, 10.52; O, 14.42; S, 14.45
Related CAS #: 1438638-83-5 (free base) 2250404-95-4 (tosylate)
Synonym: T-1101 tosylate; T1101 tosylate; T 1101 tosylate; TAI-95 tosylate; TAI95 tosylate; TAI 95 tosylate
IUPAC/Chemical Name: N-(4-(4-((5-(2-methoxyethoxy)pyrazin-2-yl)thio)-2,6-dimethylphenyl)thiazol-2-yl)isonicotinamide 4-methylbenzenesulfonate
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)
SMILES Code: CC1=CC(SC2=NC=C(OCCOC)N=C2)=CC(C)=C1C3=CSC(NC(C4=CC=NC=C4)=O)=N3.CC(C=C5)=CC=C5S(=O)(O)=O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 665.798 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Chuang SH, Lee YE, Huang LYL, et al. Discovery of T-1101 tosylate as a first-in-class clinical candidate for Hec1/Nek2 inhibition in cancer therapy. Eur J Med Chem. 2020;191:112118. doi:10.1016/j.ejmech.2020.112118
