tetraethyl 9-oxoheptadecane-1,8,10,17-tetracarboxylate | 1443113-94-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tetraethyl 9-oxoheptadecane-1,8,10,17-tetracarboxylate
• 英文别名: Tetraethyl 9-oxoheptadecane-1,8,10,17-tetracarboxylate
• CAS: 1443113-94-7
• 化学式: C₂₉H₅₀O₉
• 分子量: 542.711
• InChiKey: XREWRQYSHWKVDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  38
• 可旋转键数：
  28
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  tetraethyl 9-oxoheptadecane-1,8,10,17-tetracarboxylate 在 盐酸 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 18.0h， 以1.74g的产率得到10-氧壬二酸
  参考文献：
  名称：

  [EN] BRANCHED ALKYL AND CYCLOALKYL TERMINATED BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS
  [FR] LIPIDES BIODÉGRADABLES RAMIFIÉS À TERMINAISONS ALKYLE ET CYCLOALKYLE DESTINÉS À L'ADMINISTRATION D'AGENTS ACTIFS

  摘要：

  本发明涉及具有一个或多个生物可降解基团的阳离子脂质的化学式(I)，所述生物可降解基团位于阳离子脂质的脂质部分（例如，疏水链）中。这些阳离子脂质可以被纳入脂质粒子中，用于传递活性剂，例如核酸。该发明还涉及包括中性脂质、能够减少聚集的脂质、本发明的阳离子脂质以及可选地固醇的脂质粒子。脂质粒子还可以进一步包括治疗剂，例如核酸。

  公开号：

  WO2013086322A1
• 作为产物：
  描述：

  8-溴辛酸乙酯 、 1,3-丙酮二羧酸二乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以11.44g的产率得到tetraethyl 9-oxoheptadecane-1,8,10,17-tetracarboxylate
  参考文献：
  名称：

  [EN] BRANCHED ALKYL AND CYCLOALKYL TERMINATED BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS
  [FR] LIPIDES BIODÉGRADABLES RAMIFIÉS À TERMINAISONS ALKYLE ET CYCLOALKYLE DESTINÉS À L'ADMINISTRATION D'AGENTS ACTIFS

  摘要：

  本发明涉及具有一个或多个生物可降解基团的阳离子脂质的化学式(I)，所述生物可降解基团位于阳离子脂质的脂质部分（例如，疏水链）中。这些阳离子脂质可以被纳入脂质粒子中，用于传递活性剂，例如核酸。该发明还涉及包括中性脂质、能够减少聚集的脂质、本发明的阳离子脂质以及可选地固醇的脂质粒子。脂质粒子还可以进一步包括治疗剂，例如核酸。

  公开号：

  WO2013086322A1

文献信息

• LIPID COMPOSITION
  申请人：FUJIFILM Corporation

  公开号：US20220096381A1

  公开（公告）日：2022-03-31

  An object of the present invention is to provide a lipid composition making it possible to achieve excellent delivery of nucleic acids. According to the present invention, there is provided a lipid composition containing a lipid represented by Formula (1) or a salt thereof, a nonionic lipid, a lipid having a nonionic hydrophilic polymer structure, and a nucleic acid, in which the lipid composition contains or does not contain a zwitterionic lipid, and in a case where (A) represents a molar ratio in percentage of the lipid represented by Formula (1) or a salt thereof to total lipids constituting the lipid composition and (B) represents a molar ratio in percentage of the zwitterionic lipid to total lipids constituting the lipid composition, (A) and (B) satisfy 40<(A)−(B)≤90. In the formula, X represents —NR 1 — or —O—, R 1 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 1 or more, and c+d is 1 or more.

  本发明的目的是提供一种脂质组合物，使得核酸的传递能够实现优异。根据本发明，提供一种脂质组合物，其中包含式（1）或其盐所代表的脂质、非离子脂质、具有非离子亲水性聚合物结构的脂质和核酸，所述脂质组合物包含或不包含一个带电离子脂质，且当（A）代表式组成脂质组合物中式（1）或其盐所代表的脂质的摩尔比例百分比，（B）代表式组成脂质组合物中带电离子脂质的摩尔比例百分比时，（A）和（B）满足40 < (A) - (B) ≤ 90。在式中，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、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中的任意一个或多个成对的基团可以连接在一起形成一个含氧原子的4-7环，a、b、c和d各自独立地代表0到3的整数，a+b≥1，c+d≥1。
• Branched Alkyl And Cycloalkyl Terminated Biodegradable Lipids For The Delivery Of Active Agents
  申请人：ALNYLAM PHARMACEUTICALS, INC.

  公开号：US20150005363A1

  公开（公告）日：2015-01-01

  The present invention relates to a cationic lipid of formula (I) having one or more biodegradable groups located in a lipidic moiety (e.g., a hydrophobic chain) of the cationic lipid. These cationic lipids may be incorporated into a lipid particle for delivering an active agent, such as a nucleic acid. The invention also relates to lipid particles comprising a neutral lipid, a lipid capable of reducing aggregation, a cationic lipid of the present invention, and optionally, a sterol. The lipid particle may further include a therapeutic agent such as a nucleic acid.

  本发明涉及一种具有公式（I）的阳离子脂质，其中在脂质部分（例如，疏水链）中具有一个或多个可生物降解的基团。这些阳离子脂质可以被纳入到脂质粒中，以传递活性剂，例如核酸。本发明还涉及包括中性脂质、能够减少聚集的脂质、本发明中的阳离子脂质以及可选的固醇的脂质粒。该脂质粒还可以包括治疗剂，例如核酸。
• 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。
• BRANCHED ALKYL AND CYCLOALKYL TERMINATED BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS
  申请人：Alnylam Pharmaceuticals, Inc.

  公开号：EP2788316B1

  公开（公告）日：2019-04-24
• 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.