LY2835219

Base Information

• Chemical Name: LY2835219
• CAS No.: 1231930-82-7
• Molecular Formula: C28H36F2N8O3S
• Molecular Weight: 602.6990464
• Mol file: 1231930-82-7.mol

Synonyms:Abemaciclib Mesylate

Chemical Property of LY2835219

Chemical Property:

• PSA: 137.75000
• LogP: 5.47050
• Storage Temp.: -20°
• Solubility.: Soluble in DMSO (up to at least 25 mg/ml) or in Water (up to at least 25 mg/ml).

Purity/Quality:

99%min. ^*data from raw suppliers

N-[5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-2-pyrimidinamineMethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: Abemaciclib (1231930-82-7) is a potent and selective CDK4/6 inhibitor (IC50?= 2 nM and 10 nM respectively).1?It caused G1 cell cycle arrest in colo-205 colorectal cells, MDA-MB-361 breast cancer cells, and MV4-11 AML cells. Abemaciclib was also active in several human tumor xenograft models. It displayed efficacy in patients with various solid tumors including breast cancer, non-small cell lung cancer. Glioblastoma, melanoma, colorectal cancer, and hormone receptor-positive breast cancer.2?Abemaciclib induced a T cell inflamed tumor microenvironment and enhanced the efficacy of PD-L1 checkpoint blockade in MCF-7 breast cancer cells.3?FDA approved for the treatment of advanced breast cancers.
• Uses: N-[5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-2-pyrimidinamine is an CDK4/6 protein kinase inhibitor with potential antitumor effects. LY2835219 is an orally-bioavailable dual inhibitor of cyclin-dependent kinase 4 (CDK4) and CDK6 (IC50s = 2 and 10 nM, respectively). Through this mechanism, it blocks phosphorylation of retinoblastoma protein, resulting in arrest of cell cycling in the G1 phase. LY2835219 has antitumor action against xenografts when used alone or in combination with other chemotherapeutic compounds.[Cayman Chemical] N-[5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-2-pyrimidinamine is an CDK4/6 protein kinase inhibitor with potential antitumor effects.

Technology Process of LY2835219

There total 17 articles about LY2835219 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methanesulfonic acid (75-75-2,98527-29-8) + 5-((4-ethylpiperazin-1-yl)methyl)-6-methylpyridin-2-amine (1180132-17-5) + 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole (1231930-42-9) → LY2835219 (1231930-82-7)

Guidance literature:

5-((4-ethylpiperazin-1-yl)methyl)-6-methylpyridin-2-amine; With lithium hexamethyldisilazane; In tetrahydrofuran; toluene; at -5 - 0 ℃;

6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole; In tetrahydrofuran; toluene; at 25 - 30 ℃;

methanesulfonic acid; In ethanol; at 50 - 55 ℃;

Reference yield:

methanesulfonic acid (75-75-2,98527-29-8) + N-(5-((4-ethyl-1-piperazinyl)methyl)-2-pyridinyl)-5-fluoro-4-(4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl)-2-pyrimidinamine (1231929-97-7) → LY2835219 (1231930-82-7)

Guidance literature:

In dichloromethane; at 20 ℃; Solvent;

Reference yield:

methanesulfonic acid (75-75-2,98527-29-8) + N-(5-((4-ethyl-1-piperazinyl)methyl)-2-pyridinyl)-5-fluoro-4-(4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl)-2-pyrimidinamine (1231929-97-7) → abemaciclib (1231930-82-7)

Guidance literature:

In methanol; dichloromethane; for 1h;

upstream raw materials:

methanesulfonic acid

5-((4-ethylpiperazin-1-yl)methyl)-6-methylpyridin-2-amine

6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole

5-bromo-2-chloropyridine

Refernces

• 1、 -. "Novel synthesis method of Abemaciclib mesylate". Paragraph 0069-0071; 0073-0075. . Retrieved 2019/06/07.
• 2、 -. "PROTEIN KINASE INHIBITORS". Page/Page column 18. . Retrieved 2010/07/04.