SBE13盐酸盐 | 1052532-15-6

• 物质功能分类: 生物化工 - 抑制剂 - 细胞周期(Cell Cycle)
• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 石蒜科生物碱
• 中文名称: SBE13盐酸盐
• 中文别名: PLK1激酶抑制剂(SBE13HYDROCHLORIDE)；N-[[4-[(6-氯-3-吡啶基)甲氧基]-3-甲氧基苯基]甲基]-3,4-二甲氧基苯乙胺盐酸盐
• 英文名称: SBE13 hydrochloride
• 英文别名: N-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
• CAS: 1052532-15-6
• 化学式: C24H28Cl2N2O4
• 分子量: 479.4
• InChiKey: QBGSVDJLQQXEGG-UHFFFAOYSA-N

物化性质

• 溶解度：
  在DMSO中的溶解度≥17mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  5.09
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• WGK Germany：
  3

制备方法与用途

生物活性

SBE 13 HCl 是一种有效的选择性 PLK1 抑制剂，其 IC50 值为 200 pM，比 Aurora A 激酶、Plk2 和 Plk3 的选择性高出约 4000 倍。

体外研究

SBE 13 能够减少多种癌细胞系的细胞增殖，并导致 G2/M 期阻滞随后引发凋亡。在原代细胞中，SBE 13 不干扰细胞周期进程，因此不损害原代细胞的增殖。同时，在 HCT116(p53-/-) 细胞中，SBE 13 结合 Enzastaurin 显示出协同作用，能够显著减少细胞增殖并增强凋亡诱导。

靶点

靶点	IC50 (pM)
PLK1	200
PLK3	875

文献信息

• USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES
  申请人：DelMar Pharmaceuticals, Inc.

  公开号：US20180071244A1

  公开（公告）日：2018-03-15

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of malignancies of the central nervous system in pediatric patients, including glioblastoma multiforme (GBM) high grade glioma, and medulloblastoma. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N 7 methylation and that can induce double-stranded breaks in DNA. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide, cisplatin, and tyrosine kinase inhibitors; the drug acts independently of the MGMT repair mechanism. Dianhydrogalactitol can be used together with other anti-neoplastic agents (e.g. cisplatin) and can possess additive or super-additive effects.
• [EN] USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES<br/>[FR] UTILISATION DE DIANHYDROGALACTITOL OU DES DÉRIVÉS OU ANALOGUES DE CELUI-CI POUR LE TRAITEMENT DE TUMEURS MALIGNES DU SYSTÈME NERVEUX CENTRAL PÉDIATRIQUE
  申请人：DELMAR PHARMACEUTICALS INC

  公开号：WO2017075052A1

  公开（公告）日：2017-05-04

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of malignancies of the central nervous system in pediatric patients, including glioblastoma multiforme (GBM) high grade glioma, and medulloblastoma. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N7 methylation and that can induce double-stranded breaks in DNA. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide, cisplatin, and tyrosine kinase inhibitors; the drug acts independently of the MGMT repair mechanism. Dianhydrogalactitol can be used together with other anti-neoplastic agents (e.g. cisplatin) and can possess additive or super-additive effects.