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MedKoo Cat#: 463459 | Name: T-1101 tosylate
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

T-1101 tosylate
T-1101 tosylate
CAS#2250404-95-4 (tosylate)

Theoretical Analysis

MedKoo Cat#: 463459

Name: T-1101 tosylate

CAS#: 2250404-95-4 (tosylate)

Chemical Formula: C31H31N5O6S3

Exact Mass: 0.0000

Molecular Weight: 665.80

Elemental Analysis: C, 55.92; H, 4.69; N, 10.52; O, 14.42; S, 14.45

Price and Availability

Size Price Availability Quantity
5mg USD 250.00 Ready to ship
10mg USD 450.00 Ready to ship
25mg USD 850.00 Ready to ship
50mg USD 1,450.00 Ready to ship
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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
More Info
Product Data
Product Data
Certificate of Analysis
View CoA: current batch, Lot#A23M12B07
Safety Data Sheet (SDS)
View Safety Data Sheet (SDS)
Instruction
View handling instruction
Biological target:
T-1101 tosylate is a Hec1/Nek2 inhibitor with antitumor activity.
In vitro activity:
Inhibition of Hec1 using small molecules, such as T-1101, has potential as a treatment for primary liver cancers. T-1101 had excellent potency on a wide range of primary liver cancer cell lines while being relatively inactive in non-cancerous cell lines. T-1101 disrupted the interaction between Hec1 and Nek2 and led to degradation of Nek2, chromosomal misalignment, and apoptotic cell death. T-1101 showed synergistic activity in selected cancer cell lines with doxorubicin, paclitaxel, and topotecan, but not with sorafenib. Reference: Cancer Chemother Pharmacol. 2014 Sep;74(3):511-20. https://pubmed.ncbi.nlm.nih.gov/25038613/
In vivo activity:
T-1101 tosylate, currently in phase I clinical trials for cancer therapy, targets the Hec1/Nek2 protein-protein interaction. T-1101 tosylate is target-specific and demonstrates cardiac safety. This inhibition leads to Nek2 degradation, chromosomal misalignment, and apoptotic cell death. T-1101 is inactive on non-cancerous cells, and its synergistic effects with doxorubicin, paclitaxel, and topotecan suggest potential combination therapies. Reference: Eur J Med Chem. 2020 Apr 1;191:112118. https://pubmed.ncbi.nlm.nih.gov/32113126/
Solvent mg/mL mM comments
Solubility
DMSO 62.5 93.87
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 665.80 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.

Recalculate based on batch purity %
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
Formulation protocol:
1. Huang LY, Chang CC, Lee YS, Huang JJ, Chuang SH, Chang JM, Kao KJ, Lau GM, Tsai PY, Liu CW, Lin HS, Gish RG, Lau JY. Inhibition of Hec1 as a novel approach for treatment of primary liver cancer. Cancer Chemother Pharmacol. 2014 Sep;74(3):511-20. doi: 10.1007/s00280-014-2540-7. Epub 2014 Jul 20. PMID: 25038613. 2. Huang LY, Chang CC, Lee YS, Chang JM, Huang JJ, Chuang SH, Kao KJ, Lau GM, Tsai PY, Liu CW, Lin HS, Lau JY. Activity of a novel Hec1-targeted anticancer compound against breast cancer cell lines in vitro and in vivo. Mol Cancer Ther. 2014 Jun;13(6):1419-30. doi: 10.1158/1535-7163.MCT-13-0700. Epub 2014 Apr 2. PMID: 24694948. 3. Chuang SH, Lee YE, Huang LYL, Chen CK, Lai CL, Lin YH, Yang JY, Yang SC, Chang LH, Chen CH, Liu CW, Lin HS, Lee YR, Huang KP, Fu KC, Jen HM, Lai JY, Jian PS, Wang YC, Hsueh WY, Tsai PY, Hong WH, Chang CC, Wu DZ, Wu J, Chen MH, Yu KM, Chern CY, Chang JM, Lau JYN, Huang JJ. 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. doi: 10.1016/j.ejmech.2020.112118. Epub 2020 Feb 7. PMID: 32113126.
In vitro protocol:
1. Huang LY, Chang CC, Lee YS, Huang JJ, Chuang SH, Chang JM, Kao KJ, Lau GM, Tsai PY, Liu CW, Lin HS, Gish RG, Lau JY. Inhibition of Hec1 as a novel approach for treatment of primary liver cancer. Cancer Chemother Pharmacol. 2014 Sep;74(3):511-20. doi: 10.1007/s00280-014-2540-7. Epub 2014 Jul 20. PMID: 25038613. 2. Huang LY, Chang CC, Lee YS, Chang JM, Huang JJ, Chuang SH, Kao KJ, Lau GM, Tsai PY, Liu CW, Lin HS, Lau JY. Activity of a novel Hec1-targeted anticancer compound against breast cancer cell lines in vitro and in vivo. Mol Cancer Ther. 2014 Jun;13(6):1419-30. doi: 10.1158/1535-7163.MCT-13-0700. Epub 2014 Apr 2. PMID: 24694948.
In vivo protocol:
1. Chuang SH, Lee YE, Huang LYL, Chen CK, Lai CL, Lin YH, Yang JY, Yang SC, Chang LH, Chen CH, Liu CW, Lin HS, Lee YR, Huang KP, Fu KC, Jen HM, Lai JY, Jian PS, Wang YC, Hsueh WY, Tsai PY, Hong WH, Chang CC, Wu DZ, Wu J, Chen MH, Yu KM, Chern CY, Chang JM, Lau JYN, Huang JJ. 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. doi: 10.1016/j.ejmech.2020.112118. Epub 2020 Feb 7. PMID: 32113126.
Chuang SH, Lee YE, Huang LYL, Chen CK, Lai CL, Lin YH, Yang JY, Yang SC, Chang LH, Chen CH, Liu CW, Lin HS, Lee YR, Huang KP, Fu KC, Jen HM, Lai JY, Jian PS, Wang YC, Hsueh WY, Tsai PY, Hong WH, Chang CC, Wu DZ, Wu J, Chen MH, Yu KM, Chern CY, Chang JM, Lau JYN, Huang JJ. 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. doi: 10.1016/j.ejmech.2020.112118. Epub 2020 Feb 7. PMID: 32113126.