4-(2-methyl-aziridin-1-yl)-butyric acid 1-octadeca-9,12-dienyl-nonadeca-10,13-dienyl ester

• 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: 4-(2-methyl-aziridin-1-yl)-butyric acid 1-octadeca-9,12-dienyl-nonadeca-10,13-dienyl ester
• 英文别名: [(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl] 4-(2-methylaziridin-1-yl)butanoate
• 化学式: C₄₄H₇₉NO₂
• 分子量: 654.117
• InChiKey: OOAVSHLIFORSEL-QYCRHRGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.2
• 重原子数：
  47
• 可旋转键数：
  36
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  29.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  dilinoleylmethyl formate 在 4-二甲氨基吡啶 、 四丁基碘化铵 、 caesium carbonate 、 N,N'-二环己基碳二亚胺 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 112.0h， 生成 4-(2-methyl-aziridin-1-yl)-butyric acid 1-octadeca-9,12-dienyl-nonadeca-10,13-dienyl ester
  参考文献：
  名称：

  Lipids and compositions for the delivery of therapeutics

  摘要：

  本发明提供了有利用于体内向细胞传递治疗剂的脂质颗粒中的脂质。具体而言，该发明的公式（I）提供了具有以下结构XXXIII的脂质，其中：R1和R2分别独立地为每次出现的情况下，可以是选择性取代的C10-C30烷基，选择性取代的C10-C30烯基，选择性取代的C10-C30炔基，选择性取代的C10-C30酰基，或-连接-配体；R3为H，可以是选择性取代的C1-C10烷基，选择性取代的C2-C10烯基，选择性取代的C2-C10炔基，烷基杂环，烷基磷酸酯，烷基磷硫酸酯，烷基磷二硫酸酯，烷基磷酸酯，烷基胺，羟基烷基，ω-氨基烷基，ω-(取代)氨基烷基，ω-磷酰基烷基，ω-硫代磷酰基烷基，选择性取代的聚乙二醇（PEG，分子量100-40K），选择性取代的mPEG（分子量120-40K），杂环芳基，杂环，或连接-配体；E为C(O)O或OC(O)。

  公开号：

  US09186325B2

文献信息

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

  公开号：US20110311582A1

  公开（公告）日：2011-12-22

  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 formula (I) provides lipids having the following structure XXXIII wherein: R 1 and R 2 are each independently for each occurrence optionally substituted C 10 -C 30 alkyl, optionally substituted C 10 -C 30 alkenyl, optionally substituted C 10 -C 30 alkynyl, optionally substituted C 10 -C 30 acyl, or -linker-ligand; R 3 is H, optionally substituted C 1 -C 10 alkyl, optionally substituted C 2 -C 10 alkenyl, optionally substituted C 2 -C 10 alkynyl, alky lhetro cycle, 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; and E is C(O)O or OC(O).

  本发明提供了脂质，这些脂质在体内传递治疗剂到细胞的脂质颗粒中具有优势。特别是，本发明公式（I）提供了具有以下结构XXXIII的脂质，其中：R1和R2分别为每次出现的可选取代C10-C30烷基，可选取代C10-C30烯基，可选取代C10-C30炔基，可选取代C10-C30酰基，或-连接物-配基; R3为H，可选取代C1-C10烷基，可选取代C2-C10烯基，可选取代C2-C10炔基，烷基杂环，烷基磷酸盐，烷基磷酸硫酸盐，烷基磷酸二硫酸盐，烷基膦酸盐，烷基胺，羟基烷基，ω-氨基烷基，ω-(取代)氨基烷基，ω-磷酸基烷基，ω-硫代磷酸基烷基，可选取代聚乙二醇（PEG，mw 100-40K），可选取代mPEG（mw 120-40K），杂环芳基，杂环，或连接物配基; E为C（O）O或OC（O）。
• METHODS AND COMPOSITIONS FOR DELIVERY OF NUCLEIC ACIDS
  申请人：Hope Michael J

  公开号：US20130017223A1

  公开（公告）日：2013-01-17

  A lipid particle can include a plurality of cationic lipids, such as a first cationic lipid and a second cationic lipid. The first cationic lipid can be selected on the basis of a first property and the second cationic can be selected on the basis of a second property. The first and second properties are complementary. The attributes of the lipid particle can reflect the selected properties of the cationic lipids, and the complementary nature of those properties.
• LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS
  申请人：ARBUTUS BIOPHARMA CORPORATION

  公开号：US20220023427A1

  公开（公告）日：2022-01-27

  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 formula (I) provides lipids having the following structure XXXIII wherein: R 1 and R 2 are each independently for each occurrence optionally substituted C 10 -C 30 alkyl, optionally substituted C 10 -C 30 alkenyl, optionally substituted C 10 -C 30 alkynyl, optionally substituted C 10 -C 30 acyl, or -linker-ligand; R 3 is H, optionally substituted C 1 -C 10 alkyl, optionally substituted C 2 -C 10 alkenyl, optionally substituted C 2 -C 10 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; and E is C(O)O or OC(O).
• US9186325B2
  申请人：——

  公开号：US9186325B2

  公开（公告）日：2015-11-17
• US9707292B2
  申请人：——

  公开号：US9707292B2

  公开（公告）日：2017-07-18