(9Z,9'Z,12Z,12'Z)-((5-((dimethylamino)methyl)-1,3-phenylene)bis(oxy))bis(butane-4,1-diyl) bis(octadeca-9,12-dienoate)

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (9Z,9'Z,12Z,12'Z)-((5-((dimethylamino)methyl)-1,3-phenylene)bis(oxy))bis(butane-4,1-diyl) bis(octadeca-9,12-dienoate)
• 英文别名: 4-[3-[(dimethylamino)methyl]-5-[4-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybutoxy]phenoxy]butyl (9Z,12Z)-octadeca-9,12-dienoate
• 化学式: C₅₃H₈₉NO₆
• 分子量: 836.293
• InChiKey: LJERJNBYTYEOMT-KWXKLSQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.5
• 重原子数：
  60
• 可旋转键数：
  44
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  74.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(3,5-bis(4-(vinyloxy)butoxy)phenyl)-N,N-dimethylmethanamine 在 盐酸 、 4-二甲氨基吡啶 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 (9Z,9'Z,12Z,12'Z)-((5-((dimethylamino)methyl)-1,3-phenylene)bis(oxy))bis(butane-4,1-diyl) bis(octadeca-9,12-dienoate)
  参考文献：
  名称：

  [EN] LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS
  [FR] LIPIDES ET COMPOSITIONS LIPIDIQUES POUR L'ADMINISTRATION DE PRINCIPES ACTIFS

  摘要：

  这项发明提供了一个式(I)的化合物，或其药用可接受的盐，其中R1-R4、L和X在此处被定义。式(I)的化合物及其药用可接受的盐是在将生物活性剂传递给细胞和组织中时有用的阳离子脂质。

  公开号：

  WO2014136086A1

文献信息

• LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS
  申请人：BARYZA Jeremy Lee

  公开号：US20140303232A1

  公开（公告）日：2014-10-09

  This invention provides for a compound of formula (I): or a pharmaceutically acceptable salt thereof, wherein R 1 -R 4 , L and X are defined herein. The compounds of formula (I) and pharmaceutically acceptable salts thereof are cationic lipids useful in the delivery of biologically active agents to cells and tissues.

  本发明提供了式(I)的化合物或其药学上可接受的盐，其中R1-R4、L和X在此定义。式(I)的化合物和其药学上可接受的盐是阳离子脂质，可用于将生物活性剂传递到细胞和组织中。
• Lipids and lipid compositions for the delivery of active agents
  申请人：Novartis AG

  公开号：US10124065B2

  公开（公告）日：2018-11-13

  This invention provides for a compound of formula (I): or a pharmaceutically acceptable salt thereof, wherein R1-R4, L and X are defined herein. The compounds of formula (I) and pharmaceutically acceptable salts thereof are cationic lipids useful in the delivery of biologically active agents to cells and tissues.

  本发明提供了一种式（I）化合物：或其药学上可接受的盐，其中 R1-R4、L 和 X 在此定义。式（I）化合物及其药学上可接受的盐是一种阳离子脂质，可用于向细胞和组织递送生物活性剂。
• ORGANIC COMPOSITIONS TO TREAT EPASI-RELATED DISEASES
  申请人：ARROWHEAD RESEARCH CORPORATION

  公开号：US20160010089A1

  公开（公告）日：2016-01-14

  The present disclosure relates to methods of treating EPAS1-related diseases such as cancer, metastases, astrocytoma, bladder cancer, breast cancer, chondrosarcoma, colorectal carcinoma, gastric carcinoma, glioblastoma, head and neck squamous cell carcinoma, hepatocellular carcinoma, lung adenocarcinoma, neuroblastoma, non-small cell lung cancer, melanoma, multiple myeloma, ovarian cancer, rectal cancer, renal cancer, clear cell renal cell carcinoma (and metastases of this and other cancers), gingivitis, psoriasis, Kaposi's sarcoma-associated herpesvirus, preemclampsia, inflammation, chronic inflammation, neovascular diseases, and rheumatoid arthritis, using a therapeutically effective amount of a RNAi agent to EPAS1.
• ORGANIC COMPOSITIONS TO TREAT EPAS1 - RELATED DISEASES
  申请人：Arrowhead Pharmaceuticals, Inc.

  公开号：US20180100151A1

  公开（公告）日：2018-04-12

  The present disclosure relates to methods of treating EPAS1-related diseases such as cancer, metastases, astrocytoma, bladder cancer, breast cancer, chondrosarcoma, colorectal carcinoma, gastric carcinoma, glioblastoma, head and neck squamous cell carcinoma, hepatocellular carcinoma, lung adenocarcinoma, neuroblastoma, non-small cell lung cancer, melanoma, multiple myeloma, ovarian cancer, rectal cancer, renal cancer, clear cell renal cell carcinoma (and metastases of this and other cancers), gingivitis, rheumatoid arthritis, using a therapeutically effective amount of a RNAi agent to EPAS1.
• ORGANIC COMPOSITIONS TO TREAT EPAS1-RELATED DISEASES
  申请人：Arrowhead Pharmaceuticals, Inc.

  公开号：US20200190517A1

  公开（公告）日：2020-06-18

  The present disclosure relates to methods of treating EPAS 1 -related diseases such as cancer, metastases, astrocytoma, bladder cancer, breast cancer, chondrosarcoma, colorectal carcinoma, gastric carcinoma, glioblastoma, head and neck squamous cell carcinoma, hepatocellular carcinoma, lung adenocarcinoma, neuroblastoma, non-small cell lung cancer, melanoma, multiple myeloma, ovarian cancer, rectal cancer, renal cancer, clear cell renal cell carcinoma (and metastases of this and other cancers), gingivitis, psoriasis, Kaposi's sarcoma-associated herpesvirus, preemclampsia, inflammation, chronic inflammation, neovascular diseases, and rheumatoid arthritis, using a therapeutically effective amount of a RNAi agent to EPAS1.