(9E,12E)-octadeca-9,12-dienyl methanesulfonate | 1192259-28-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: (9E,12E)-octadeca-9,12-dienyl methanesulfonate
• 英文别名: [(9E,12E)-octadeca-9,12-dienyl] methanesulfonate
• CAS: 1192259-28-1
• 化学式: C₁₉H₃₆O₃S
• 分子量: 344.559
• InChiKey: JJFLSSAGKSQEHW-ZDVGBALWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  23
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (9E,12E)-octadeca-9,12-dienyl methanesulfonate 、 1-((9Z,12Z)-octadeca-9,12-dienyloxy)-3-pyrrolidin-1-ylpropan-2-ol 在 NaH 作用下， 以 水 、 甲苯 为溶剂， 生成 1-{2-[(9E,12E)-octadeca-9,12-dienyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienyloxy]propyl}pyrrolidine
  参考文献：
  名称：

  Cationic Lipids and Uses Thereof

  摘要：

  阳离子脂质、基于阳离子脂质的药物传递系统、制备它们的方法以及利用它们治疗疾病的方法被披露。

  公开号：

  US20090263407A1

文献信息

• [EN] CATIONIC LIPIDS AND USES THEREOF<br/>[FR] LIPIDES CATIONIQUES ET UTILISATIONS DE CEUX-CI
  申请人：ABBOTT LAB

  公开号：WO2009129385A1

  公开（公告）日：2009-10-22

  Cationic lipids, cationic lipid based drug delivery systems, ways to make them and methods of treating diseases using them are disclosed.

  阳离子脂质、基于阳离子脂质的药物传递系统、制备它们的方法以及利用它们治疗疾病的方法被披露。
• CATIONIC LIPID
  申请人：Kyowa Hakko Kirin Co., Ltd.

  公开号：US20140294978A1

  公开（公告）日：2014-10-02

  The present invention provides a cationic lipid and the like. The cationic lipid is for delivering a medicament containing a cationic lipid which facilitates the introduction of a nucleic acid into a cell or the like, and is represented by formula (I). In the formula, R 1 is linear or branched alkyl, alkenyl, or alkynyl, each having 8 to 24 carbon atoms, R 2 is linear or branched alkyl, alkenyl, or alkynyl, each having 8 to 24 carbon atoms, or alkoxyethylene, alkoxypropylene, alkenyloxyethylene, alkenyloxypropylene, alkynyloxyethylene, or alkynyloxypropylene, R 3 and R 4 may be the same or different, and are each alkyl having 1 to 3 carbon atoms or are combined together to form alkylene having 2 to 6 carbon atoms, or R 3 and R 5 are combined together to form alkylene having 2 to 6 carbon atoms, R 5 is a hydrogen atom, alkyl having 1 to 6 carbon atoms, alkenyl having 3 to 6 carbon atoms, amino, monoalkylamino, hydroxy, alkoxy, carbamoyl, monoalkylcarbamoyl, dialkylcarbamoyl, or the like, or is combined together with R 3 to form alkylene having 2 to 6 carbon atoms, X is alkylene having 1 to 6 carbon atoms, and Y is a single bond, alkylene having 1 to 6 carbon atoms, or the like.

  本发明提供了一种阳离子脂质等。该阳离子脂质用于传递含有阳离子脂质的药物，有助于将核酸引入细胞或类似物中，并由式(I)表示。在该式中，R1为具有8到24个碳原子的线性或支链烷基、烯基或炔基，R2为具有8到24个碳原子的线性或支链烷基、烯基或炔基，或者为烷氧乙烯、烷氧丙烯、烯氧乙烯、烯氧丙烯、炔氧乙烯或炔氧丙烯，R3和R4可以相同也可以不同，分别为具有1到3个碳原子的烷基，或者结合在一起形成具有2到6个碳原子的烷基，或者R3和R5结合在一起形成具有2到6个碳原子的烷基，R5为氢原子、具有1到6个碳原子的烷基、具有3到6个碳原子的烯基、氨基、单烷基氨基、羟基、烷氧基、氨基甲酰基、单烷基氨基甲酰基、二烷基氨基甲酰基等，或者与R3结合在一起形成具有2到6个碳原子的烷基，X为具有1到6个碳原子的烷基，Y为单键、具有1到6个碳原子的烷基等。
• [EN] LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS<br/>[FR] LIPIDES ET COMPOSITIONS LIPIDIQUES PERMETTANT L'ADMINISTRATION DE PRINCIPES ACTIFS
  申请人：NOVARTIS AG

  公开号：WO2016037053A1

  公开（公告）日：2016-03-10

  This invention provides for a compound of formula (I), or a pharmaceutically acceptable salt thereof, wherein RA, RB, R2 and R4 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.

  这项发明提供了一个式（I）的化合物，或者其药学上可接受的盐，其中RA、RB、R2和R4在此处定义。式（I）的化合物及其药学上可接受的盐是阳离子脂质，可用于将生物活性物质传递给细胞和组织。
• [EN] AMINO LIPID BASED IMPROVED LIPID FORMULATION<br/>[FR] FORMULATION LIPIDIQUE AMÉLIORÉE À BASE D'AMINO LIPIDE
  申请人：ALNYLAM PHARMACEUTICALS INC

  公开号：WO2009132131A1

  公开（公告）日：2009-10-29

  The present invention provides compositions and methods for the delivery of therapeutic agents to cells. In particular, these include novel lipids and nucleic acid-lipid particles that provide efficient encapsulation of nucleic acids and efficient delivery of the encapsulated nucleic aicd to cells in vivo. The compositions of the present invention are highly potent, thereby allowing effective knock-down of specific target protein at relatively low doses. In addition, the compositions and methods of the present invention are less toxic and provide a greater therapeutic index compared to compositions and methods previously known in the art. Formulae (I), (II), (III), (IV).

  本发明提供了将治疗剂传递给细胞的组合物和方法。特别是，这些包括新型脂质和核酸-脂质颗粒，它们能够高效地封装核酸并将封装的核酸有效地传递到体内细胞中。本发明的组合物非常强效，因此可以在相对较低的剂量下有效地降低特定靶蛋白的表达。此外，与先前已知的技术中的组合物和方法相比，本发明的组合物和方法毒性更低，疗效指数更高。公式（I）、（II）、（III）、（IV）。
• LIPID NANO PARTICLES COMPRISING COMBINATION OF CATIONIC LIPID
  申请人：KYOWA HAKKO KIRIN CO., LTD.

  公开号：US20140045913A1

  公开（公告）日：2014-02-13

  The present invention provides a lipid nano-particles, which allow nucleic acids to be easily introduced into cells, comprising a cationic lipid represented by formula (I) (wherein: R 1 and R 2 are, the same or different, alkenyl, etc, and X 3 is absent or is alkyl, etc, X 1 and X 2 are hydrogen atoms, or are combined together to form a single bond or alkylene, and Y 1 is absent or anion, L 1 is a single bond, etc, R 3 is alkyl, etc), and a cationic lipid represented by formula (II) (wherein: R 4 and R 5 are, the same or different, alkenyl, etc, and X 4 and X 5 are hydrogen atoms, or are combined together to form a single bond or alkylene, and X 6 is absent or is alkyl, etc, Y 2 is absent or anion, a and b are, the same or different, 0 to 3, and L 4 is a single bond, etc, R 6 is alkyl, etc, L 2 and L 3 are —O—, —CO—O— or —O—CO—), and the like.

  本发明提供了一种脂质纳米粒子，可以使核酸轻松地进入细胞，包括由式(I)表示的阳离子脂质（其中：R1和R2是相同或不同的烯基等，X3不存在或是烷基等，X1和X2是氢原子，或结合在一起形成单键或亚烷基，Y1不存在或是阴离子，L1是单键等，R3是烷基等），以及由式(II)表示的阳离子脂质（其中：R4和R5是相同或不同的烯基等，X4和X5是氢原子，或结合在一起形成单键或亚烷基，X6不存在或是烷基等，Y2不存在或是阴离子，a和b是相同或不同的0到3，L4是单键等，R6是烷基等，L2和L3是—O—，—CO—O—或—O—CO—）等。