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Alectinib-[d8]

General Information
Catalog: BLP-003250
CAS: 1256585-15-5
Molecular Formula: C30H26D8N4O2
Molecular Weight: 490.68
Chemical Structure
Alectinib-[d8]
Description Labelled Alectinib. Alectinib, marketed as Alecensa, is an oral drug that blocks the activity of anaplastic lymphoma kinase (ALK) and is used to treat non-small-cell lung cancer (NSCLC). Alectinib has a low potential for interactions. While it is metabolised by the liver enzyme CYP3A4, and blockers of this enzyme accordingly increase its concentrations in the body, they also decrease concentrations of the active metabolite M4, resulting in only a small overall effect. Conversely, CYP3A4 inducers decrease alectinib concentrations and increase M4 concentrations. Interactions via other CYP enzymes and transporter proteins cannot be excluded but are unlikely to be of clinical significance.
Synonyms 9-Ethyl-6,6-dimethyl-8-(4-(morpholino-d8)piperidin-1-yl)-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
IUPAC Name 9-ethyl-6,6-dimethyl-8-[4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)piperidin-1-yl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
Related CAS 1256580-46-7 (unlabelled)
Canonical SMILES CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C
InChI InChI=1S/C30H34N4O2/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29/h5-6,15-17,21,32H,4,7-14H2,1-3H3/i11D2,12D2,13D2,14D2
InChI Key KDGFLJKFZUIJMX-FUEQIQQISA-N
Purity ≥ 90%
Solubility Soluble in DMSO
Appearance Off-white to White Solid
Storage 2-8°C

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