2-(dimethylamino)ethyl (6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl carbonate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 2-(dimethylamino)ethyl (6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl carbonate
• 英文别名: 2-(dimethylamino)ethyl [(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl] carbonate
• 化学式: C₄₂H₇₇NO₃
• 分子量: 644.078
• InChiKey: GGAVQGKUUJBEGH-KWXKLSQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.1
• 重原子数：
  46
• 可旋转键数：
  36
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4,4'-二硫代双苯甲酸 在 4-二甲氨基吡啶 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 2-(dimethylamino)ethyl (6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl carbonate
  参考文献：
  名称：

  NOVEL LIPID

  摘要：

  公开号：

  EP3020701B1

文献信息

• NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS
  申请人：Manoharan Muthiah

  公开号：US20110311583A1

  公开（公告）日：2011-12-22

  (A1) Translate this text The present invention provides lipids that are advantageously used in lipid particles for the in vivo delivery of therapeutic agents to cells. In particular, the invention provides lipids having the following structure (I) wherein R1 and R2 are each independently for each occurrence optionally substituted C10-C30 alkyl, optionally substituted C10-C30 alkenyl, optionally substituted C10-C30 alkynyl, optionally substituted C10-C30 acyl, or -linker-ligand; R3 is H, optionally substituted C1-C10 alkyl, optionally substituted C2-C10 alkenyl, optionally substituted C2-C10 alkynyl, alkylhetrocycle, alkylphosphate, alkylphosphorothioate, alkylphosphorodithioate, alkylphosphonates, alkylamines, hydroxyalkyls, ?-aminoalkyls, ?-(substituted)aminoalkyls, ?-phosphoalkyls, ?-thiophosphoalkyls, optionally substituted polyethylene glycol (PEG, mw 100-40K), optionally substituted mPEG (mw 120-40K), heteroaryl, heterocycle, or linker-ligand; E is O, S, N(Q), C(O), N(Q)C(O), C(0)N(Q), (Q)N(CO)O, O(CO)N(Q), S(O), NS(O)2N(Q), S(O)2, N(Q)S(O)2, SS, O═N, aryl, heteroaryl, cyclic or heterocycle; and, Q is H, alkyl, ?-aminoalkyl, ?-(substituted)aminoalky, ?-phosphoalkyl or ?-thiophosphoalkyl.

  本发明提供了脂质，这些脂质优势地用于治疗剂的体内传递到细胞的脂质颗粒中。特别地，本发明提供了具有以下结构（I）的脂质，其中R1和R2分别独立于每个发生的情况下，可以是可选取代的C10-C30烷基，可选取代的C10-C30烯基，可选取代的C10-C30炔基，可选取代的C10-C30酰基或-连接子-配体；R3是H，可选取代的C1-C10烷基，可选取代的C2-C10烯基，可选取代的C2-C10炔基，烷基杂环，烷基磷酸盐，烷基磷酸硫酯，烷基磷酸二硫酯，烷基膦酸盐，烷基胺，羟基烷基，?-氨基烷基，?-（取代）氨基烷基，?-磷酸基烷基，?-硫代磷酸基烷基，可选取代的聚乙二醇（PEG，分子量100-40K），可选取代的mPEG（分子量120-40K），杂环芳基，杂环化合物或连接子-配体；E是O、S、N（Q）、C（O）、N（Q）C（O）、C（0）N（Q）、（Q）N（CO）O、O（CO）N（Q）、S（O）、NS（O）2N（Q）、S（O）2、N（Q）S（O）2、SS、O═N、芳基、杂环芳基、环状或杂环；Q是H、烷基、?-氨基烷基、?-（取代）氨基烷基、?-磷酸基烷基或?-硫代磷酸基烷基。
• COMPOUND, SALT THEREOF AND LIPID PARTICLES
  申请人：FUJIFILM Corporation

  公开号：EP3805198A1

  公开（公告）日：2021-04-14

  An object of the present invention is to provide a compound or a salt thereof constituting lipid particles that can achieve a high nucleic acid encapsulation rate and excellent delivery of nucleic acids, and to provide lipid particles that can achieve a high nucleic acid encapsulation rate and excellent delivery of nucleic acids. According to an aspect of the present invention, a compound represented by Formula (1) or a salt thereof is provided. In the formula, X represents -NR1- or -O-, R1 represents a hydrogen atom, a hydrocarbon group, or the like, R2 and R3 each independently represent a hydrogen atom, a hydrocarbon group, or the like, R4, R5, R6, R7, R8, R9, R10, R11, and R12 each independently represent a hydrogen atom or an alkyl group, groups in any one or more pairs among R4 and R5, R10 and R5, R5 and R12, R4 and R6, R5 and R6, R6 and R7, R6 and R10, R12 and R7, and R7 and R8 may be linked to each other to form a 4- to 7-membered ring which may contain an O atom, a, b, c, and d are each independently represent an integer of 0 to 3, a + b is equal to or greater than 1, and c + d is equal to or greater than 1.

  本发明的目的是提供一种化合物或其盐类构成的脂质微粒，该脂质微粒可实现较高的核酸包封率和核酸的良好递送，并提供可实现较高的核酸包封率和核酸的良好递送的脂质微粒。根据本发明的一个方面，提供了一种由式（1）代表的化合物或其盐。 式中，X代表-NR1-或-O-，R1代表氢原子、烃基或类似物，R2和R3各自独立地代表氢原子、烃基或类似物，R4、R5、R6、R7、R8、R9、R10、R11和R12各自独立地代表氢原子或烷基、R4和R5之间任意一对或多对的基团、R10 和 R5、R5 和 R12、R4 和 R6、R5 和 R6、R6 和 R7、R6 和 R10、R12 和 R7 以及 R7 和 R8 中的任意一对或多对基团可彼此相连，形成可包含 O 原子的 4 至 7 元环，a、b、c 和 d 各自独立地代表 0 至 3 的整数，a + b 等于或大于 1，c + d 等于或大于 1。
• Lipids and compositions for the delivery of therapeutics
  申请人：Arbutus Biopharma Corporation

  公开号：US10821186B2

  公开（公告）日：2020-11-03

  The present invention provides lipids that are advantageously used in lipid particles for the in vivo delivery of therapeutic agents to cells. In particular, the invention provides lipids having the following structure wherein R1 and R2 are each independently for each occurrence optionally substituted C10-C30 alkyl, optionally substituted C10-C30 alkenyl, optionally substituted C10-C30 alkynyl, optionally substituted C10-C30 acyl, or -linker-ligand; R3 is H, optionally substituted C1-C10 alkyl, optionally substituted C2-C10 alkenyl, optionally substituted C2-C10 alkynyl, alkylhetrocycle, alkylphosphate, alkylphosphorothioate, alkylphosphorodithioate, alkylphosphonates, alkylamines, hydroxyalkyls, ω-aminoalkyls, ω-(substituted)aminoalkyls, ω-phosphoalkyls, ω-thiophosphoalkyls, optionally substituted polyethylene glycol (PEG, mw 100-40K), optionally substituted mPEG (mw 120-40K), heteroaryl, heterocycle, or linker-ligand; E is O, S, N(Q), C(O), N(Q)C(O), C(O)N(Q), (Q)N(CO)O, O(CO)N(Q), S(O), NS(O)2N(Q), S(O)2, N(Q)S(O)2, SS, O═N, aryl, heteroaryl, cyclic or heterocycle; and, Q is H, alkyl, ω-aminoalkyl, ω-(substituted)aminoalky, ω-phosphoalkyl or ω-thiophosphoalkyl.

  本发明提供的脂质可用于脂质微粒中，有利于向细胞体内输送治疗剂。特别是，本发明提供具有以下结构的脂质 其中 R1 和 R2 在每次出现时各自独立地为任选取代的 C10-C30 烷基、任选取代的 C10-C30 烯基、任选取代的 C10-C30 炔基、任选取代的 C10-C30酰基或-连接配体；R3 是 H、任选取代的 C1-C10 烷基、任选取代的 C2-C10 烯基、任选取代的 C2-C10 烷炔基、烷基己环、烷基磷酸酯、硫代磷酸烷基酯、二硫代磷酸烷基酯、烷基膦酸盐、烷基胺羟基烷基、ω-氨基烷基、ω-（取代的）氨基烷基、ω-磷酰基、ω-硫代磷酰基、任选取代的聚乙二醇（PEG，mw 100-40K）、任选取代的 mPEG（mw 120-40K）、杂芳基、杂环或连接配体；E 是 O、S、N(Q)、C(O)、N(Q)C(O)、C(O)N(Q)、(Q)N(CO)O、O(CO)N(Q)、S(O)、NS(O)2N(Q)、S(O)2、N(Q)S(O)2、SS、O═N、芳基、杂芳基、环状或杂环；Q 是 H、烷基、ω-氨基烷基、ω-（取代）氨基烷基、ω-磷烷基或 ω-硫代磷烷基。
• METHODS AND COMPOSITIONS FOR DELIVERY OF NUCLEIC ACIDS
  申请人：The University of British Columbia

  公开号：EP2512449B1

  公开（公告）日：2019-08-07
• COMPOUND OR SALT THEREOF AND LIPID PARTICLES
  申请人：FUJIFILM Corporation

  公开号：US20210085604A1

  公开（公告）日：2021-03-25

  An object of the present invention is to provide a compound or a salt thereof constituting lipid particles that can achieve a high nucleic acid encapsulation rate and excellent delivery of nucleic acids, and to provide lipid particles that can achieve a high nucleic acid encapsulation rate and excellent delivery of nucleic acids. According to an aspect of the present invention, a compound represented by Formula (1) or a salt thereof is provided. In the formula, X represents —NR 1 — or —O—, R represents a hydrogen atom, a hydrocarbon group, or the like, R 2 and R 3 each independently represent a hydrogen atom, a hydrocarbon group, or the like, R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , and R 12 each independently represent a hydrogen atom or an alkyl group, groups in any one or more pairs among R 4 and R 5 , R 10 and R 5 , R 5 and R 12 , R 4 and R 6 , R 5 and R 6 , R 6 and R 7 , R 6 and R 10 , R 12 and R 7 , and R 7 and R 8 may be linked to each other to form a 4- to 7-membered ring which may contain an O atom, a, b, c, and d are each independently represent an integer of 0 to 3, a+b is equal to or greater than 1, and c+d is equal to or greater than 1.