MedKoo Cat#: 126601 | Name: TAK-901 (HCl)

Description:

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

TAK-901 is a small-molecule inhibitor of the serine-threonine kinase Aurora B with potential antineoplastic activity. Aurora B kinase inhibitor TAK-901 binds to and inhibits the activity of Aurora B, which may result in a decrease in the proliferation of tumor cells that overexpress Aurora B. Aurora B is a positive regulator of mitosis that functions in the attachment of the mitotic spindle to the centromere; the segregation of sister chromatids to each daughter cell; and the separation of daughter cells during cytokinesis. This serine/threonine kinase may be amplified and overexpressed by a variety of cancer cell types. Check for active clinical trials or closed clinical trials using this agent.

Chemical Structure

TAK-901 (HCl)
TAK-901 (HCl)
CAS#934542-50-4 (HCl)

Theoretical Analysis

MedKoo Cat#: 126601

Name: TAK-901 (HCl)

CAS#: 934542-50-4 (HCl)

Chemical Formula: C28H33ClN4O3S

Exact Mass: 540.1962

Molecular Weight: 541.11

Elemental Analysis: C, 62.15; H, 6.15; Cl, 6.55; N, 10.35; O, 8.87; S, 5.92

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Synonym
TAK-901; TAK901; TAK-01; TAK-901 (HCl); TAK-901 HCl
IUPAC/Chemical Name
5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide hydrochloride
InChi Key
VJCDELBBEITKBS-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H32N4O3S.ClH/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26;/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33);1H
SMILES Code
Cl.CCS(=O)(=O)C1=CC(=CC=C1)C2=CC(C(=O)NC3CCN(C)CC3)=C(C)C4=C2C5=C(N4)N=CC(C)=C5
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 541.11 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
1: Cullinane C, Waldeck KL, Binns D, Bogatyreva E, Bradley DP, de Jong R, McArthur GA, Hicks RJ. Preclinical FLT-PET and FDG-PET imaging of tumor response to the multi-targeted Aurora B kinase inhibitor, TAK-901. Nucl Med Biol. 2014 Feb;41(2):148-54. doi: 10.1016/j.nucmedbio.2013.11.001. Epub 2013 Nov 15. PubMed PMID: 24332383. 2: Farrell P, Shi L, Matuszkiewicz J, Balakrishna D, Hoshino T, Zhang L, Elliott S, Fabrey R, Lee B, Halkowycz P, Sang B, Ishino S, Nomura T, Teratani M, Ohta Y, Grimshaw C, Paraselli B, Satou T, de Jong R. Biological characterization of TAK-901, an investigational, novel, multitargeted Aurora B kinase inhibitor. Mol Cancer Ther. 2013 Apr;12(4):460-70. doi: 10.1158/1535-7163.MCT-12-0657. Epub 2013 Jan 28. PubMed PMID: 23358665.