Abemaciclib(LY2835219)

Modify Date: 2025-08-21 10:19:41

Abemaciclib(LY2835219) structure	Common Name	Abemaciclib(LY2835219)
	CAS Number	1231930-82-7	Molecular Weight	602.699
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₈H₃₆F₂N₈O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Use of Abemaciclib(LY2835219)

Abemaciclib (LY2835219) (methanesulfonate) is a selective CDK4/6 inhibitor with IC50s of 2 nM and 10 nM for CDK4 and CDK6, respectively.

Name	N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine,methanesulfonic acid
Synonym	More Synonyms

Description	Abemaciclib (LY2835219) (methanesulfonate) is a selective CDK4/6 inhibitor with IC50s of 2 nM and 10 nM for CDK4 and CDK6, respectively.
Related Catalog	Signaling Pathways >> Cell Cycle/DNA Damage >> CDK Research Areas >> Cancer
Target	Cdk4/cyclin D1:2 nM (IC50) CDK6/cyclinD1:10 nM (IC50) CDK2/cyclinE:504 nM (IC50) CDK9/cyclinT1:57 nM (IC50) CDK1/cyclinB1:1627 nM (IC50) CDK7/Mat1/cyclinH1:3910 nM (IC50) Cdk5/p25:355 nM (IC50) CDK5/p35:287 nM (IC50) PIM1:50 nM (IC50) PIM2:3400 nM (IC50) HIPK2:31 nM (IC50) DYRK2:61 nM (IC50) CK2:117 nM (IC50) GSK3b:192 nM (IC50) JNK3:389 nM (IC50) FLT3 (D835Y):403 nM (IC50) FLT3:3960 nM (IC50) DRAK1:659 nM (IC50)
In Vitro	Abemaciclib (LY2835219) reduces cell viability with the IC50 values ranging from 0.5 μM to 0.7 μM, inhibits Akt and ERK signaling but not mTOR activation at head and neck squamous cell carcinoma (HNSCC) cells[1]. Abemaciclib (LY2835219) shows inhibition on A375R1-4, M14R, and SH4R with EC50 values ranging from 0.3 to 0.6 μM; Abemaciclib inhibits the proliferation of the parental A375 and resistant A375RV1 and A375RV2 cells with similar potencies with IC50 values of 395, 260, and 463 nM, respectively[2]. Abemaciclib (LY2835219) inhibits CDK4 and CDK6 with low nanomolar potency, inhibits Rb phosphorylation resulting in a G1 arrest and inhibition of proliferation, and its activity is specific for Rb-proficient cells[3].
In Vivo	Abemaciclib (LY2835219) (45 mg/kg, p.o.) in combination with everolimus causes a cooperative antitumor effect in HNSCC xenograft tumor[1]. Abemaciclib (LY2835219) (45 or 90 mg/kg, p.o.) shows significant tumor growth inhibition in an A375 xenograft model[2].
Cell Assay	Cells are seeded in a 96-well plate, allowed to adhere overnight, and treated with DMSO control (0.1% v/v) or the indicated compounds for 72 h. Cell viability and proliferation are determined using a Cell Counting Kit according to the manufacturer's instructions. The interaction between Abemaciclib (LY2835219) and mTOR inhibitor is determined using CompuSyn. Combination index (CI) values of 1 indicates and additive drug interaction, whereas a CI of < 1 is synergistic and a CI of > 1 is antagonistic.
Animal Admin	Six-week-old BALB/c female nude mice are injected subcutaneously with OSC-19 (1×106) cells. When tumor sizes reach approximately 100 mm3, mice are randomized by tumor size and subjected to each treatment. At least 5 mice per treatment group are included. Each group of mice is dosed via daily oral gavage with vehicle, Abemaciclib (LY2835219) (45 mg/kg/d or 90 mg/kg/d), Everolimus (5 mg/kg/d), or a combination of both. The Abemaciclib (LY2835219) is dissolved in 1% HEC in 20 mM phosphate buffer (pH2.0). Tumor size and body weight are measured twice weekly. Tumor volumes are calculated using the following formula: V=(L × W2)/2 (L, Length; W, width). Mice are gavaged a final time on day 14 and sacrificed the following day. The tumors are removed for Western blot and immunohistochemistry.
References	[1]. Ku BM, et al. The CDK4/6 inhibitor LY2835219 has potent activity in combination with mTOR inhibitor in head and neck squamous cell carcinoma. Oncotarget. 2016 Mar 22;7(12):14803-13. [2]. Yadav V, et al. The CDK4/6 inhibitor LY2835219 overcomes vemurafenib resistance resulting from MAPK reactivation and cyclin D1 upregulation. Mol Cancer Ther. 2014 Oct;13(10):2253-63. [3]. Gelbert LM, et al. Preclinical characterization of the CDK4/6 inhibitor LY2835219: in-vivo cell cycle-dependent/independent anti-tumor activities alone/in combination with gemcitabine. Invest New Drugs. 2014 Oct;32(5):825-37. [4]. Wu T, et al. Effect of abemaciclib (LY2835219) on enhancement of chemotherapeutic agents in ABCB1 and ABCG2 overexpressing cells in vitro and in vivo. Biochem Pharmacol. 2017 Jan 15;124:29-42.

Molecular Formula	C₂₈H₃₆F₂N₈O₃S
Molecular Weight	602.699
Exact Mass	602.259888
PSA	137.75000
LogP	5.47050
InChIKey	NCJPFQPEVDHJAZ-UHFFFAOYSA-N
SMILES	CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CS(=O)(=O)O

Name: Thermal Shift Assay. Domain: start/stop: N44-E168
Source: ChEMBL
Target: Bromodomain-containing protein 4
External Id: CHEMBL5060944

Name: Thermal Shift Assay. Domain start/stop: M626-G740
Source: ChEMBL
Target: Peregrin
External Id: CHEMBL4650107

Name: Thermal Shift Assay. Domain: start/stop: M1-L298
Source: ChEMBL
Target: Cyclin-dependent kinase 2
External Id: CHEMBL5062802

Name: Thermal Shift Assay. Domain: start/stop: E122-S403
Source: ChEMBL
Target: Aurora kinase A
External Id: CHEMBL5067851

Name: Thermal Shift Assay. Domain: start/stop: M1-K294
Source: ChEMBL
Target: Casein kinase I isoform delta
External Id: CHEMBL5064135

Name: Thermal Shift Assay. Domain: start/stop: M26-R383
Source: ChEMBL
Target: Glycogen synthase kinase-3 beta
External Id: CHEMBL5065993

Name: Thermal Shift Assay. Domain: start/stop: S229-K512
Source: ChEMBL
Target: Tyrosine-protein kinase ABL1
External Id: CHEMBL5060419

Name: SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f...
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL4495582

Name: Thermal Shift Assay. Domain: start/stop: M626-G746
Source: ChEMBL
Target: Peregrin
External Id: CHEMBL5062277

Name: Inhibition of CDK2/Cyclin A2 (unknown origin) using FAM-labeled peptide as substrate ...
Source: ChEMBL
Target: Cyclin-A2
External Id: CHEMBL4275364

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N-{5-[(4-Ethyl-1-piperazinyl)methyl]-2-pyridinyl}-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzimidazol-6-yl)-2-pyrimidinamine methanesulfonate (1:1)

CS-1229

QCR-274

2-Pyrimidinamine, N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-, methanesulfonate (1:1)

UNII-KKT462Q807

N-(5-((4-ethylpiperazin-1-yl)methyl)pyridin-2-yl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine methanesulfonate

LY2835219

Abemaciclib mesylate