ethyl 3-pentyloct-2-enoate | 87642-76-0

• 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-pentyloct-2-enoate
• CAS: 87642-76-0
• 化学式: C₁₅H₂₈O₂
• 分子量: 240.386
• InChiKey: NXIULLJUIJMSOC-UHFFFAOYSA-N

物化性质

• 沸点：
  307.8±11.0 °C(Predicted)
• 密度：
  0.880±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  17
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 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-pentyloct-2-enoate 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 palladium 10% on activated carbon 、 palladium on activated charcoal 、 氢气 、 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 、 乙醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 52.0h， 生成 3-pentyloctyl 8-[3-[2-[2-[2-(2-hydroxyethoxy)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：

  原丙酸乙酯锂 、 tripentylborane 以61%的产率得到
  参考文献：
  名称：

  HARA, SHOJI;DOJO, HIDETAKA;KATO, TATUO;SUZUKI, AKIRA, CHEM. LETT., 1983, N 7, 1125-1128

  摘要：

  DOI：

文献信息

• THE REACTION OF TRIALKYLBORANES WITH LITHIUM ACETYLIDES PREPARED FROM TRIETHYL ORTHOPROPIOLATE AND PROPIOLALDEHYDE DIETHYL ACETAL
  作者：Shoji Hara、Hidetaka Dojo、Tatuo Kato、Akira Suzuki

  DOI：10.1246/cl.1983.1125

  日期：1983.7.5

  Lithium acetylides with functional groups such as orthoester or acetal group in the molecule react with trialkylboranes with the migration of alkyl groups. The oxidation of the intermediates obtained from triethyl orthopropiolate gives a mixture of β-hydroxy-and α,β,-unsaturated esters, and the oxidation of those from propiolaldehyde diethyl acetal gives (E)-1-ethoxy-1-alken-3-ones respectively.

  分子中带有原酸酯或缩醛等官能团的乙炔锂与三烷基硼烷反应，伴随着烷基的迁移。从原丙酸三乙酯得到的中间体氧化得到 β-羟基-和 α,β,-不饱和酯的混合物，从丙醛二乙缩醛得到的中间体氧化得到 (E)-1-ethoxy-1-alken-3-分别。
• 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 GLUCOSE-6-PHOSPHATASE AND USES THEREOF<br/>[FR] NANOPARTICULES LIPIDIQUES CONTENANT DES POLYNUCLÉOTIDES CODANT POUR LA GLUCOSE-6-PHOSPHATASE ET LEURS UTILISATIONS
  申请人：MODERNATX INC

  公开号：WO2022204371A1

  公开（公告）日：2022-09-29

  This disclosure relates to ionizable amino lipid-based lipid nanoparticles for delivery of mRNA encoding glucose-6-phosphatase. Lipid nanoparticle/mRNA therapies of the invention increase and/or restore deficient levels of glucose-6-phosphatase expression and/or activity in subjects and are useful for the treatment of glycogen storage disease type 1a (GSD-Ia). Lipid nanoparticle/mRNA therapies of the invention increase glucose production and reduce the abnormal accumulation of glycogen and glucose-6-phosphate associated with GSD-Ia.

  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。
• [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。