| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A421004-1ml |
1ml |
现货  |
|
| 英文别名 | L01XE50 | 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl)amine | EX-A521 | LY 2835219 (free base) | NSC783671 | NSC-783671 | 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluor | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO | ||||||||
| 英文名称 | Abemaciclib | ||||||||
| 储存温度 | 避光,-80℃储存 | ||||||||
| 运输条件 | 超低温冰袋运输 | ||||||||
| 作用类型 | 抑制剂 | ||||||||
| 作用机制 | 细胞周期蛋白依赖性激酶 6 抑制剂 | ||||||||
| 产品介绍 |
|
||||||||
| ALogP | 3.8 |
|---|
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC 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 |
| 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) |
| InChi Key | UZWDCWONPYILKI-UHFFFAOYSA-N |
| 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 |
| Isomeric 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 |
| 分子量 | 506.59 |
| Reaxy-Rn | 20351282 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20351282&ln= |
| 分子量 | 506.600 g/mol |
|---|---|
| XLogP3 | 3.800 |
| 氢键供体数Hydrogen Bond Donor Count | 1 |
| 氢键受体数Hydrogen Bond Acceptor Count | 9 |
| 可旋转键计数Rotatable Bond Count | 7 |
| 精确质量Exact Mass | 506.272 Da |
| 单同位素质量Monoisotopic Mass | 506.272 Da |
| 拓扑极表面积Topological Polar Surface Area | 75.000 Ų |
| 重原子数Heavy Atom Count | 37 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 723.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| 象形图 | GHS08 |
|---|---|
| 信号词 | 危险 |
| 危险声明 |
H360: 可能损害生育力或未出生的孩子 H373: 通过长时间或反复暴露对器官造成损害 H410: 对水生生物有剧毒并具有长期持续影响 |
| 预防措施声明 |
P273: 避免释放到环境中。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P314: 如果你感到不适，请就医。 P308+P313: 如接触到或有疑虑：求医/就诊。 |
| 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, 13 [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, 304 (140836). [PMID:39933681] [10.1016/j.ijbiomac.2025.140836] |
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