(1S,3S,6S,9S,12S,14R,16R,18S,20R,21S,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,30,34,37,39,40,41-heptaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃吡喃类
• 英文名称: (1S,3S,6S,9S,12S,14R,16R,18S,20R,21S,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,30,34,37,39,40,41-heptaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one
• 化学式: C₄₁H₆₁NO₁₀
• 分子量: 727.9
• InChiKey: BZVQMIFTNUKHLB-IDKIKNANSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  52
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  137
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• Use of trans-[tetrachlorobis(1H-indazole)ruthenate(III)] for the treatment of cancer
  申请人：Bold Therapeutics, Inc.

  公开号：US10821095B2

  公开（公告）日：2020-11-03

  IT-139, sodium trans-[tetrachlorobis(1H-indazole)ruthenate(III)], is an intravenously administered small molecule compound. In preclinical anti-tumor and mechanism of action studies, IT-139 showed activity against a broad range of tumor types, including those which are resistant to standard anti-cancer agents (e.g., platinums, vinca alkaloids, taxanes, anthracyclines). This activity is believed to arise from IT-139's novel mechanism of action that targets the GRP78 pathway. It was found that up-regulation of GRP78 is a key cancer cell survival pathway. Downregulation of GRP78 using IT-139 removes this resistance pathway allowing for chemotherapy and immuno-oncology agents to be more effective in treating cancer.

  IT-139，反式-[四氯双(1H-吲唑)钌酸钠(III)]，是一种静脉注射小分子化合物。在临床前抗肿瘤和作用机制研究中，IT-139 对多种类型的肿瘤具有活性，包括对标准抗癌药物（如铂类、长春花生物碱、紫杉类、蒽环类）具有抗药性的肿瘤。据信，这种活性源于 IT-139 针对 GRP78 通路的新作用机制。研究发现，GRP78 的上调是癌细胞生存的关键途径。使用 IT-139 下调 GRP78 可以消除这一抗药性途径，从而使化疗和免疫肿瘤学药物更有效地治疗癌症。
• BLOCK COPOLYMERS FOR STABLE MICELLES
  申请人：Intezyne Technologies, Inc.

  公开号：US20140113879A1

  公开（公告）日：2014-04-24

  The present invention relates to the field of polymer chemistry and more particularly to multiblock copolymers and micelles comprising the same. Compositions herein are useful for drug-delivery applications.
• IRON STABILIZED MICELLES AS MAGNETIC CONTRAST AGENTS
  申请人：Intezyne Technologies

  公开号：US20160346408A1

  公开（公告）日：2016-12-01

  The present invention relates to the field of polymer chemistry and more particularly to multiblock copolymers and iron stabilized micelles comprising the same, as magnetic contrast agents. Compositions herein are useful for diagnostic and drug-delivery applications.
• USE OF TRANS-[TETRACHLOROBIS(1H-INDAZOLE)RUTHENATE(III)] FOR THE TREATMENT OF CANCER
  申请人：Intezyne Technologies

  公开号：US20190038601A1

  公开（公告）日：2019-02-07

  IT-139, sodium trans-[tetrachlorobis(1H-indazole)ruthenate(III)], is an intravenously administered small molecule compound. In preclinical anti-tumor and mechanism of action studies, IT-139 showed activity against a broad range of tumor types, including those which are resistant to standard anti-cancer agents (e.g., platinums, vinca alkaloids, taxanes, anthracyclines). This activity is believed to arise from IT-139's novel mechanism of action that targets the GRP78 pathway. It was found that up-regulation of GRP78 is a key cancer cell survival pathway. Downregulation of GRP78 using IT-139 removes this resistance pathway allowing for chemotherapy and immuno-oncology agents to be more effective in treating cancer.
• US9107926B2
  申请人：——

  公开号：US9107926B2

  公开（公告）日：2015-08-18