1D-3-deoxyphosphatidylinositol ether lipid | 253440-95-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油磷脂
• 英文名称: 1D-3-deoxyphosphatidylinositol ether lipid
• 英文别名: DPIEL；3-deoxy PI ether lipid；1-O-(2-O-methyl-1-O-octadecyl-sn-glycero-3-phospho)-1D-3-deoxy-myo-inositol；DPEIL；Omdpi；[(2R)-2-methoxy-3-octadecoxypropyl] [(1R,2R,3S,4R,6R)-2,3,4,6-tetrahydroxycyclohexyl] hydrogen phosphate
• CAS: 253440-95-8
• 化学式: C₂₈H₅₇O₁₀P
• 分子量: 584.728
• InChiKey: GJZGRYXGQBWBEB-AVMFAVRISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  39
• 可旋转键数：
  25
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  155
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1D-2,4,5,6-tetra-O-benzyl-3-deoxy-myo-inositol 在 palladium dihydroxide 叔丁基过氧化氢 、 二异丙基铵盐四氮唑 、 氢气 作用下， 以 二氯甲烷 、 乙腈 、 叔丁醇 为溶剂， 生成 1D-3-deoxyphosphatidylinositol ether lipid
  参考文献：
  名称：

  3-脱氧-D-肌醇1-磷酸酯，1-膦酸酯和醚脂质类似物作为磷脂酰肌醇-3-激酶信号传导和癌细胞生长的抑制剂。

  摘要：

  DOI：

  10.1021/jm980254j

文献信息

• Inhibitors of phosphatidyl myo-inositol cycle
  申请人：Arizona Board of Regents on behalf of the University of Arizona

  公开号：US06667340B1

  公开（公告）日：2003-12-23

  The present invention relates to the preparation and biological activity of 3-deoxy-Dmyo-inositol ether lipid analogs as inhibitors of phosphatidylinositol-3-kinase signaling and cancer cell growth. The compounds of the present invention are useful as anti-tumor 5 agents which effectively inhibit the growth of mammalian cells.

  本发明涉及3-去氧-D-肌醇醚脂类类似物的制备和生物活性，作为磷脂酰肌醇-3-激酶信号通路和癌细胞生长的抑制剂。本发明的化合物可用作有效抑制哺乳动物细胞生长的抗肿瘤药物。
• METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS
  申请人：Race Oncology Ltd.

  公开号：EP3860575A1

  公开（公告）日：2021-08-11
• [EN] METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS<br/>[FR] PROCÉDÉ DE PRÉPARATION ET D'ADMINISTRATION DE FORMULATIONS DE BISANTRÈNE
  申请人：RACE ONCOLOGY LTD

  公开号：WO2020072948A1

  公开（公告）日：2020-04-09

  The present invention is directed to an improved method for preparing bisantrene, specifically bisantrene dihydrochloride, for intravenous administration, as well as to preparations of bisantrene dihydrochloride for intravenous administration. The present invention is also directed to methods for treatment of malignancies treatable by administration of bisantrene, which can include administration of additional anti-neoplastic agents, wherein the bisantrene is prepared by a method according to the present invention.