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Abemaciclib-[d8]

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General Information
Catalog: BLP-003178
Molecular Formula: C27H24D8F2N8
Molecular Weight: 514.65

Chemical Structure

Description	Labelled Abemaciclib. Abemaciclib is an orally available cyclin-dependent kinase (CDK) inhibitor that targets the CDK4 (cyclin D1) and CDK6 (cyclin D3) cell cycle pathway, with potential antineoplastic activity. It is used for the treatment of advanced or metastatic breast cancers.
Synonyms	[d8]-Abemaciclib; [d8]-LY-2835219; N-(5-((4-ethylpiperazin-1-yl-2,2,3,3,5,5,6,6-d8)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine-d8
IUPAC Name	5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(2,2,3,3,5,5,6,6-octadeuterio-4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]pyrimidin-2-amine
Related CAS	1231929-97-7 (unlabelled)
Canonical SMILES	CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F
InChI	InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)/i8D2,9D2,10D2,11D2
InChI Key	UZWDCWONPYILKI-JNJBWJDISA-N
Purity	≥ 90%
Solubility	Soluble in DMSO
Appearance	Yellow to Pale Yellow Solid
Storage	2-8°C