Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Abemaciclib highly selective inhibits the complexes CDK4/ cyclin D1 (IC50 =2 nmol/L) and CDK6/cyclin D1 (IC50 =10 nmol/L), with no activity against other CDK/cyclin complexes or cell-cycle-related kinases within the nanomolar ranges, except for inhibition of CDK9 at IC50 at least five times higher. Besides the cell-cycle dependent activity, abemaciclib is able to boost antitumor immunity by potentiating tumor antigen presentation and selectively suppressing proliferation of regulatory T (Treg) cells at the same time. Consistent with its activity against CDK4 and CDK6, abemaciclib inhibits RB phosphorylation and leads to G1 arrest in RB-proficient cell lines. In vitro, treatment with abemaciclib resulted in increased activation of human T cells and upregulated expression of antigen presentation genes in MCF-7 breast cancer cells. | |||
| ALogP | 3.8 |
|---|
| Sonrisas canónicas | 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 |
|---|---|
| IUPAC 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 |
| InChIKey | UZWDCWONPYILKI-UHFFFAOYSA-N |
| 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) |
| Isómeros 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 |
| Peso molecular | 506.59 |
| Reaxy-Rn | 20351282 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20351282&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | N-alkylpiperazines Halopyrimidines Aralkylamines Aminopyrimidines and derivatives Aminopyridines and derivatives N-substituted imidazoles Imidolactams Benzenoids Aryl fluorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Aminopyridine - Aminopyrimidine - Halopyrimidine - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - N-substituted imidazole - Piperazine - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
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| Peso molecular | 506.600 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 506.272 Da |
| Monoisotopic Mass | 506.272 Da |
| Topological Polar Surface Area | 75.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 723.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Sun Chao-Yue, Talukder Milton, Cao Di, Chen Cun-Wu. (2022) Gilteritinib Enhances Anti-Tumor Efficacy of CDK4/6 Inhibitor, Abemaciclib in Lung Cancer Cells. Frontiers in Pharmacology, [PMID:35814226] [10.3389/fphar.2022.829759] |
| 2. Xiao-yu Xu, Jing Chen, Zhong-xi Chen, Zhe-yan Zhang, Le-hao Jin, Jian-chao Luo, Yun-shan Zhong, Qi Zhou, Jian-chang Qian. (2025) CYP3A4 activity variations can lead to stratified metabolism of abemaciclib. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:39933681] [10.1016/j.ijbiomac.2025.140836] |
| 3. Ru Li, Yimei Ma, Anqi He, Yamin Pu, Xuanting Wan, Hongbao Sun, Ningyu Wang, Min Luo, Guan Wang, Yong Xia. (2025) Fasting enhances the efficacy of Sorafenib in breast cancer via mitophagy mediated ROS-driven p53 pathway. FREE RADICAL BIOLOGY AND MEDICINE, [PMID:39864757] [10.1016/j.freeradbiomed.2025.01.047] |
| 4. Le-hao Jin, Zhe-yan Zhang, Xiao-yu Xu, Zhong-xi Chen, Jing Chen, Yu-bin Lan, Liu-liu Pan, Xiao-dan Zhang. (2026) The Inhibitory Effect of Anastrozole on the Metabolism of Abemaciclib In Vitro and In Vivo. ACS Omega, [PMID:] [10.1021/acsomega.6c00144] |
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