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TAK-901-[d3]

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General Information
Catalog: BLP-004522
CAS: 1346603-28-8
Molecular Formula: C28H29D3N4O3S
Molecular Weight: 507.66

Chemical Structure

Description	Labelled TAK-901. 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.
Synonyms	5-[3-(Ethylsulfonyl)phenyl]-3,8-dimethyl-N-(1-methyl-4-piperidinyl)-9H-pyrido[2,3-b]indole-7-carboxamide
IUPAC Name	5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-[1-(trideuteriomethyl)piperidin-4-yl]-9H-pyrido[2,3-b]indole-7-carboxamide
Related CAS	934541-31-8 (unlabelled)
Canonical SMILES	CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=C(N3)N=CC(=C4)C)C)C(=O)NC5CCN(CC5)C
InChI	InChI=1S/C28H32N4O3S/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)/i4D3
InChI Key	WKDACQVEJIVHMZ-GKOSEXJESA-N
Purity	>95%