ethyl 3-pentyloctanoate | 1391911-53-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 无环羧酸
• 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: ethyl 3-pentyloctanoate
• CAS: 1391911-53-7
• 化学式: C₁₅H₃₀O₂
• 分子量: 242.402
• InChiKey: WKOLMZJPJFTUSC-UHFFFAOYSA-N

物化性质

• 沸点：
  281.3±8.0 °C(Predicted)
• 密度：
  0.865±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  17
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 3-pentyloctanoate 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 3-pentyloctyl 8-[3-[2-[2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy]ethoxy]-2-[8-oxo-8-(3-pentyloctoxy)octoxy]propoxy]octanoate
  参考文献：
  名称：

  [EN] LIPIDIC COMPOUNDS, AND USES THEREOF
  [FR] COMPOSÉS LIPIDIQUES ET LEURS UTILISATIONS

  摘要：

  The disclosure relates to lipidic compounds of formula (I): A-(CH2)n-CX-B-Z-R1 (I) wherein R1 represents a lipophilic or hydrophobic tail-group, wherein R1 is an optionally substituted, branched, saturated or unsaturated, C10to C55hydrocarbon radical, and which hydrocarbon skeleton that is optionally interrupted by one or several atoms of oxygen or nitrogen and/or one or several moiety –(C=O)-,-O-(C=O)- or –(C=O)-O- and which one nitrogen atom, if present in the skeleton, can be linked, directly or not, to said Z radical; Z is a spacer arm; B represents O or NH; X is O or S; n is 0, 1, 2, 3, 4, 5 or 6; and A represents (i) R2R3N-, (ii) NR2R3-Alk-Y- in which Y is O or N, Alk is an alkylene moiety in C2to C6and R2 and R3 represent independently of each other a linear or branched (C1-C6) alkyl group, or (iii) a 4- to 8-membered saturated heterocyclic radical comprising 3 to 7 carbon atoms and 1 or 2 nitrogen atoms, said 4- to 8-membered saturated heterocyclic radical being linked to the rest of the molecule by a carbon atom or a nitrogen atom and being optionally substituted by 1 to 4 substituents, independently of each other, selected from a linear or branched (C1-C6) alkyl group; or one of its pharmaceutically acceptable salts thereof; and with said compound that is in all the possible racemic, enantiomeric and diastereoisomeric isomer forms.

  公开号：

  WO2023135305A1
• 作为产物：
  描述：

  二正戊基酮 在 10 wt% Pd(OH)2 on carbon 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 20.0 ℃ 、1.38 MPa 条件下， 反应 62.83h， 生成 ethyl 3-pentyloctanoate
  参考文献：
  名称：

  [EN] LIPID NANOPARTICLES CONTAINING POLYNUCLEOTIDES ENCODING GLUCOSE-6-PHOSPHATASE AND USES THEREOF
  [FR] NANOPARTICULES LIPIDIQUES CONTENANT DES POLYNUCLÉOTIDES CODANT POUR LA GLUCOSE-6-PHOSPHATASE ET LEURS UTILISATIONS

  摘要：

  本公开涉及离子化氨基脂质基脂质纳米粒子，用于传递编码葡萄糖-6-磷酸酶的mRNA。本发明的脂质纳米粒子/mRNA治疗方法可以增加和/或恢复受试者中的葡萄糖-6-磷酸酶表达和/或活性的不足水平，并且对于治疗糖原贮存病1a型（GSD-Ia）非常有用。本发明的脂质纳米粒子/mRNA治疗方法可以增加葡萄糖产生并减少与GSD-Ia相关的糖原和葡萄糖-6-磷酸的异常积累。

  公开号：

  WO2022204371A1

文献信息

• N Alkylation of Tosylamides Using Esters as Primary and Tertiary Alkyl Sources: Mediated by Hydrosilanes Activated by a Ruthenium Catalyst
  作者：Takashi Nishikata、Hideo Nagashima

  DOI：10.1002/anie.201201426

  日期：2012.5.29

  Select your group: Either a primary or tertiary alkyl group can be selectively introduced onto the nitrogen atom of tosylamides in a ruthenium‐catalyzed reaction employing hydrosilanes through a judicious choice in the esters that serve as the alkyl source (see scheme; Ts= 4‐toluenesulfonyl). These N‐alkylation reactions are useful for construction of naturally occurring azacyclic skeletons.

  选择您的基团：在使用氢硅烷的钌催化反应中，可以明智地选择用作烷基源的酯，将伯烷基或叔烷基选择性引入甲苯磺酰胺的氮原子上（参见方案; Ts = 4-甲苯磺酰基）。这些N烷基化反应可用于构建天然存在的氮杂环骨架。
• 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。
• [EN] LIPID NANOPARTICLES CONTAINING POLYNUCLEOTIDES ENCODING PHENYLALANINE HYDROXYLASE AND USES THEREOF<br/>[FR] NANOPARTICULES LIPIDIQUES CONTENANT DES POLYNUCLÉOTIDES CODANT POUR LA PHÉNYLALANINE HYDROXYLASE ET LEURS UTILISATIONS
  申请人：MODERNATX INC

  公开号：WO2022204390A1

  公开（公告）日：2022-09-29

  This disclosure relates to ionizable amino lipid-based lipid nanoparticles for delivery of mRNA encoding phenylalanine hydroxylase. Lipid nanoparticle/mRNA therapies of the invention increase and/or restore deficient levels of phenylalanine hydroxylase expression and/or activity in subjects and are useful for the treatment of phenylketonuria

  本文涉及离子化氨基脂质基纳米粒子，用于传递编码苯丙氨酸羟化酶的mRNA。发明的脂质纳米粒子/mRNA疗法可以增加和/或恢复受试者中苯丙氨酸羟化酶表达和/或活性的不足水平，适用于苯丙酮尿症的治疗。
• [EN] BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS<br/>[FR] COMPOSÉS LIPIDIQUES À QUEUE RAMIFIÉE ET COMPOSITIONS POUR L'ADMINISTRATION INTRACELLULAIRE D'AGENTS THÉRAPEUTIQUES
  申请人：MODERNATX INC

  公开号：WO2022204288A1

  公开（公告）日：2022-09-29

  The disclosure features novel lipids and compositions involving the same. Lipid nanoparticles (e.g., empty LNPs or loaded LNPs) include a novel lipid as well as additional lipids such as phospholipids, structural lipids, and PEG lipids. Lipid nanoparticles (e.g., empty LNPs or loaded LNPs) further including therapeutic and/or prophylactics such as RNA are useful in the delivery of therapeutic and/or prophylactics to mammalian cells or organs to, for example, regulate polypeptide, protein, or gene expression.

  该披露涉及新型脂质及其组成物。脂质纳米粒子（例如，空的LNPs或载荷的LNPs）包括一种新型脂质以及其他脂质，例如磷脂、结构脂质和PEG脂质。脂质纳米粒子（例如，空的LNPs或载荷的LNPs）还包括治疗和/或预防措施，例如RNA，可用于将治疗和/或预防措施传递到哺乳动物细胞或器官中，以调节多肽、蛋白质或基因表达。
• 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。