3-[2-[2-[3-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxypropyl-methylamino]ethyldisulfanyl]ethyl-methylamino]propyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-[2-[2-[3-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxypropyl-methylamino]ethyldisulfanyl]ethyl-methylamino]propyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
• 化学式: C₅₂H₈₀N₂O₄S₂
• 分子量: 861.35
• InChiKey: UEBBPZFIULLOAT-BPFVZTGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  60
• 可旋转键数：
  27
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  110
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  维A酸 、 bis[{N-methyl-N-(3-hydroxypropyl)amino}ethyl]disulfide 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 氯仿 为溶剂， 反应 5.0h， 以0.42 g的产率得到3-[2-[2-[3-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxypropyl-methylamino]ethyldisulfanyl]ethyl-methylamino]propyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
  参考文献：
  名称：

  CATIONIC LIPID HAVING IMPROVED INTRACELLULAR KINETICS

  摘要：

  公开号：

  EP2781507B1

文献信息

• O/W TYPE EMULSION
  申请人：NOF CORPORATION

  公开号：US20190110986A1

  公开（公告）日：2019-04-18

  The present invention provides an O/W type emulsion having a volume median diameter of not more than 100 nm and containing a compound represented by the formula (1) wherein X a and X b are each independently X 1 , X 2 or a 1,4-piperazinediyl group; s is 1 or 2, R 4 is an alkyl group having 1-6 carbon atoms, n a and n b are each independently 0 or 1, R 1a , R 1b , R 2a and R 2b are each independently an alkylene group having 1-6 carbon atoms, Y a and Y b are each independently an ester bond, or the like, and R 3a and R 3b are each independently a liposoluble vitamin residue or the like.

  本发明提供了一种体积中值直径不超过100纳米的O/W型乳液，其含有由式（1）表示的化合物， 其中X a 和X b 分别独立地为X 1 、X 2 或1,4-哌嗪二基基团； s为1或2， R 4 为具有1-6个碳原子的烷基基团， n a 和n b 分别独立地为0或1， R 1a 、R 1b 、R 2a 和R 2b 分别独立地为具有1-6个碳原子的烷基基团， Y a 和Y b 分别独立地为酯键，或类似物，以及 R 3a 和R 3b 分别独立地为脂溶性维生素残基或类似物。
• Biodegradable compound, lipid particles, composition and kit comprising lipid particles
  申请人：KABUSHIKI KAISHA TOSHIBA

  公开号：US10945956B2

  公开（公告）日：2021-03-16

  [Problem] To provide a biodegradable compound having a structure decomposed in a cell, lipid particles containing the compound, and a pharmaceutical composition comprising the lipid particles. [Solution] The compound of the embodiment is represented by the formula (1): P—[X—R—Y—R′-Q]2 (1). In the formula, P is an alkyleneoxy having an ether bond, X is a divalent linking group having a tertiary amine structure, R is a divalent linking group, R′ is a single bond or a C1 to C6 alkylene, and Q is a liposoluble vitamin residue, a sterol residue, or a C12 to C22 aliphatic hydrocarbon group. The structure of the compound contains at least one biodegradable group. From the compound in combination with other lipids such as a lipid capable of reducing aggregation, lipid particles can be formed. Further, the compound can be used for a pharmaceutical composition to deliver an activator into cells.

  问题 提供一种具有在细胞中分解结构的可生物降解的化合物、含有该化合物的脂质颗粒以及含有该脂质颗粒的药物组合物。 [解决方案］ 本实施例的化合物由式（1）表示：p-[x-r-y-r′-q]2 (1)。式中 P 是具有醚键的烷氧基、 X 是具有叔胺结构的二价连接基团、 R 是二价连接基团、 R′ 是单键或 C1 至 C6 亚烷基，以及 Q 是脂溶性维生素残基、甾醇残基或 C12 至 C22 脂肪族烃基。化合物的结构至少包含一个可生物降解的基团。该化合物与其他脂质（如能减少聚集的脂质）结合，可形成脂质颗粒。此外，该化合物还可用于药物组合物，将激活剂输送到细胞中。
• O/W type emulsion
  申请人：NOF CORPORATION

  公开号：US11395798B2

  公开（公告）日：2022-07-26

  The present invention provides an O/W type emulsion having a volume median diameter of not more than 100 nm and containing a compound represented by the formula (1) wherein Xa and Xb are each independently X1, X2 or a 1,4-piperazinediyl group; s is 1 or 2, R4 is an alkyl group having 1-6 carbon atoms, na and nb are each independently 0 or 1, R1a, R1b, R2a and R2b are each independently an alkylene group having 1-6 carbon atoms, Ya and Yb are each independently an ester bond, or the like, and R3a and R3b are each independently a liposoluble vitamin residue or the like.

  本发明提供了一种体积中值直径不超过 100 纳米的 O/W 型乳液，其中含有一种由式（1）表示的化合物 其中 Xa 和 Xb 各自独立地为 X1、X2 或 1,4-哌嗪二基； s 为 1 或 2、 R4 是具有 1-6 个碳原子的烷基、 na 和 nb 分别独立地为 0 或 1、 R1a、R1b、R2a 和 R2b 各自独立地为具有 1-6 个碳原子的亚烷基、 Ya 和 Yb 各自独立地为酯键或类似键，以及 R3a 和 R3b 各自独立地为脂溶性维生素残基或类似物。
• NOVEL TECHNIQUE FOR TREATING CANCER USING STRUCTURALLY-REINFORCED S-TUD
  申请人：National University Corporation Chiba University

  公开号：US20200032262A1

  公开（公告）日：2020-01-30

  Provided is a novel technique for treating cancer using structurally-reinforced S-TuD. Provided are: a composition for the prevention or treatment of tumors, said composition comprising an miRNA inhibitory complex including RNA of analog thereof; and a method for preventing or treating tumors using said composition. The miRNA inhibitory complex preferably includes at least one double-stranded structure and an miRNA-binding sequence. Two strands of the miRNA binding sequence preferably bind individually to two strands on at least one end of the double-stranded structure. According to some of the aspects of the present invention, there is provided a delivery system for delivering such an miRNA inhibitory complex.
• US9708628B2
  申请人：——

  公开号：US9708628B2

  公开（公告）日：2017-07-18