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Ceritinib-[d7]

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General Information
Catalog: BLP-002206
CAS: 1632484-77-5
Molecular Formula: C28H29D7ClN5O3S
Molecular Weight: 565.18

Chemical Structure

Description	Ceritinib-[d7], is the labelled analogue of Ceritinib. Ceritinib is an anaplastic lymphoma kinase (ALK)-positive inhibitor used for the treatment of non-small cell lung cancer (NSCLC).
Synonyms	5-Chloro-N4-[2-[(1-methylethyl)sulfonyl]phenyl]-N2-[5-methyl-2-[1-(methyl-d3)ethoxy-1,2,2,2-d4]-4-(4-piperidinyl)phenyl]-2,4-pyrimidinediamine; Ceritinib D7
IUPAC Name	5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
Related CAS	1032900-25-6 (unlabelled)
Canonical SMILES	CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl
InChI	InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)/i1D3,2D3,17D
InChI Key	VERWOWGGCGHDQE-WFBMWZOZSA-N
Purity	> 90%
Solubility	Soluble in chloroform
Appearance	Off-white to Brown Solid
Storage	Store at 2-8°C