For research use only. Not for therapeutic Use.
Abemaciclib metabolite M18 (LSN3106729) hydrochloride, the metabolite of Abemaciclib (HY-16297A), is a CDK inhibitor with antitumor activity. Abemaciclib metabolite M18 hydrochloride and a CRBN ligand have been used to design PROTAC CDK4/6 degrader[1][2].
Abemaciclib metabolite M18 hydrochloride exhibits T1/2 of 43.1 hr in plasma in healthy subjects[3].?
CDK4/6 inhibitors’ chief mechanism of action is inhibition of retinoblastoma (RB) protein phosphorylation and thus the induction of cell cycle arrest, CDK4/6 inhibitors alter cancer cell biology in other ways[4].
CDK4/6 inhibitors results T-cell persistence and immunologic memory increasing in mice receiving tumor-specific CD8+ T cells[5].
| Catalog Number | I046016 |
| CAS Number | 2704316-82-3 |
| Synonyms | [4-fluoro-6-[5-fluoro-2-[[5-(piperazin-1-ylmethyl)pyridin-2-yl]amino]pyrimidin-4-yl]-1-propan-2-ylbenzimidazol-2-yl]methanol;hydrochloride |
| Molecular Formula | C25H29ClF2N8O |
| Purity | ≥95% |
| InChI | InChI=1S/C25H28F2N8O.ClH/c1-15(2)35-20-10-17(9-18(26)24(20)32-22(35)14-36)23-19(27)12-30-25(33-23)31-21-4-3-16(11-29-21)13-34-7-5-28-6-8-34;/h3-4,9-12,15,28,36H,5-8,13-14H2,1-2H3,(H,29,30,31,33);1H |
| InChIKey | WGFYSOPSZMTSSV-UHFFFAOYSA-N |
| SMILES | CC(C)N1C2=C(C(=CC(=C2)C3=NC(=NC=C3F)NC4=NC=C(C=C4)CN5CCNCC5)F)N=C1CO.Cl |
| Reference | [1]. Edward S. Kim, et al. Abemaciclib in Combination with Single-Agent Options in Patients with Stage IV Non–Small Cell Lung Cancer: A Phase Ib Study. [2]. Nathanael Gray, et al. Degradation of cyclin-dependent kinase 4/6 (cdk4/6) by conjugation of cdk4/6 inhibitors with e3 ligase ligand and methods of use. WO2017185031A1. [3]. Palaniappan, et al. Abstract CT153: Pharmacokinetic drug interactions between abemaciclib and CYP3A inducers and inhibitors. Cancer Res. 2016-7-15; 76 (14_Supplement): CT153. [4]. Goel S, et al. CDK4/6 Inhibition in Cancer: Beyond Cell Cycle Arrest. Trends Cell Biol. 2018 Nov;28(11):911-925. |
