2-[bis(2-(tetradecanoyloxy)ethyl)amino]-N-(2-hydroxyethyl)-N,N-dimethyl-2-oxoethan-1-aminium bromide salt | 1415840-65-1

• 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: 2-[bis(2-(tetradecanoyloxy)ethyl)amino]-N-(2-hydroxyethyl)-N,N-dimethyl-2-oxoethan-1-aminium bromide salt
• 英文别名: 2-(bis(2-(tetradecanoyloxy)ethyl)amino)-N-(2-hydroxyethyl)-N,N-dimethyl-2-oxethanaminium bromide；B8F9Wad3JC；[2-[bis(2-tetradecanoyloxyethyl)amino]-2-oxoethyl]-(2-hydroxyethyl)-dimethylazanium;bromide
• CAS: 1415840-65-1
• 化学式: Br*C₃₈H₇₅N₂O₆
• 分子量: 735.927
• InChiKey: SBCVJZHHHVYKNM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.38
• 重原子数：
  47
• 可旋转键数：
  36
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  93.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  ((tert-butoxycarbonyl)azanediyl)bis(ethane-2,1-diyl) ditetradecanoate 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.67h， 生成 2-[bis(2-(tetradecanoyloxy)ethyl)amino]-N-(2-hydroxyethyl)-N,N-dimethyl-2-oxoethan-1-aminium bromide salt
  参考文献：
  名称：

  [EN] COMPOUNDS FOR TARGETING DRUG DELIVERY AND ENHANCING SIRNA ACTIVITY
  [FR] COMPOSÉS POUR L'ADMINISTRATION DE MÉDICAMENT CIBLÉE ET L'AUGMENTATION DE L'ACTIVITÉ ARNSI

  摘要：

  公开号：

  WO2012170952A9

文献信息

• [EN] PROCESS FOR SYNTHESIZING CATIONIC LIPIDS<br/>[FR] PROCÉDÉ DE SYNTHÈSE DE LIPIDES CATIONIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2021262745A1

  公开（公告）日：2021-12-30

  The present application provides processes for synthesizing cationic lipids of Formula I useful in the synthesis of fat-soluble compositions for targeting and enhancing activity of therapeutic molecules, including siRNA.

  本申请提供了用于合成 Formula I 中阳离子脂质的过程，这些脂质在合成脂溶性组合物以用于靶向和增强治疗分子（包括siRNA）的活性方面非常有用。
• CATIONIC LIPIDS FOR THERAPEUTIC AGENT DELIVERY FORMULATIONS
  申请人：Niitsu Yoshiro

  公开号：US20130022665A1

  公开（公告）日：2013-01-24

  Here described are compounds of formula I: wherein R 1 and R 2 is independently selected from a group consisting of C 10 to C 18 alkyl, C 12 to C 18 alkenyl, and oleyl group; wherein R 3 and R 4 are independently selected from a group consisting of C 1 to C 6 alkyl, and C 2 to C 6 alkanol; wherein X is selected from a group consisting of —CH 2 —, —S—, and —O— or absent; wherein Y is selected from —(CH 2 ) n —S(CH 2 ) n , —O(CH 2 ) n —, thiophene, —SO 2 (CH 2 ) n —, and ester, wherein n=1-4; wherein a=1-4; wherein b=1-4; wherein c=1-4; and wherein Z is a counterion; as well as compositions and pharmaceutical formulations including compounds of formula I which are useful for the delivery of therapeutic agents; and methods of using these compositions and formulations.

  本文描述了式I的化合物：其中R1和R2分别选自由C10到C18烷基，C12到C18烯基和油酰基组成的一组；其中R3和R4分别选自由C1到C6烷基和C2到C6烷醇组成的一组；其中X选自由—CH2—，—S—和—O—或不存在的一组；其中Y选自由—（CH2）n—S（CH2）n，—O（CH2）n—，噻吩，—SO2（CH2）n—和酯的一组，其中n=1-4；其中a=1-4；其中b=1-4；其中c=1-4；其中Z是一个带电离子；以及包括式I化合物的组合物和药物制剂，用于传递治疗剂；以及使用这些组合物和制剂的方法。
• Cationic Lipids for Therapeutic Agent Delivery Formulations
  申请人：Nitto Denko Corporation

  公开号：US20160137593A1

  公开（公告）日：2016-05-19

  Here described are compounds of formula I: wherein R 1 and R 2 are independently selected from C 10 to C 18 alkyl, C 12 to C 18 alkenyl, and oleoyl; R 3 and R 4 are independently selected from C 1 to C 6 alkyl and C 2 to C 6 alkanol; X is selected from —CH 2 —, —S—, and —O—, or X is absent; Y is selected from —(CH 2 ) n , —S(CH 2 ) n —, —O(CH 2 ) n —, -thiophene-, —SO 2 (CH 2 ) n —, and ester; n=1-4; a=1-4; b=1-4; c=1-4; and Z − is a counterion. Also described herein are compositions and pharmaceutical formulations including compounds of formula I which are useful for the delivery of therapeutic agents, and methods of using these compositions and formulations.

  本文描述了公式I的化合物：其中R1和R2独立选择自C10到C18烷基，C12到C18烯基和油酰基; R3和R4独立选择自C1到C6烷基和C2到C6醇基; X从—CH2—，—S—和—O—中选择，或X不存在; Y从—(CH2)n，—S(CH2)n—，—O(CH2)n—，-噻吩-，—SO2(CH2)n—和酯中选择; n=1-4; a=1-4; b=1-4; c=1-4; Z-是计数离子。本文还描述了包括公式I化合物的组合物和制药配方，这些化合物对于输送治疗剂是有用的，以及使用这些组合物和配方的方法。
• Retinoid-lipid drug carrier
  申请人：Nitto Denko Corporation

  公开号：US10196637B2

  公开（公告）日：2019-02-05

  What is described is a pharmaceutical composition for treating a fibrotic disease comprising a drug carrier, which comprises a lipid and a retinoid, and a double-stranded nucleic acid molecule, which comprises an antisense sequence to mRNA encoding human hsp47.

  所述的是一种用于治疗纤维化疾病的药物组合物，它包括一种药物载体（其中包含一种脂质和一种维甲酸）和一种双链核酸分子（其中包含编码人类 hsp47 的 mRNA 的反义序列）。
• Cationic lipids for therapeutic agent delivery formulations
  申请人：Nitto Denko Corporation

  公开号：US11084779B2

  公开（公告）日：2021-08-10

  Here described is a composition comprising a compound of formula I: wherein R1 and R2 is independently selected from a group consisting of C10 to C18 alkyl, C12 to C18 alkenyl, and oleoyl group; R3 and R4 are independently selected from a group consisting of C1 to C6 alkyl, and C2 to C6 alkanol; X is selected from a group consisting of —CH2—, —S—, and —O— or absent; Y is selected from —(CH2)n, —S(CH2)n, —O(CH2)n—, thiophene, —SO2(CH2)n—, and ester; n=1-4; a=1-4; b=1-4; c=1-4; and Z− is a counterion.

  这里描述的是一种包含式 I 化合物的组合物： 其中R1和R2独立地选自由C10至C18烷基、C12至C18烯基和油酰基组成的组；R3和R4独立地选自由C1至C6烷基和C2至C6烷醇组成的组；X 选自-CH2-、-S-和-O-组成的组或不存在；Y 选自-(CH2)n、-S(CH2)n、-O(CH2)n-、噻吩、-SO2(CH2)n-和酯；n=1-4；a=1-4；b=1-4；c=1-4；和 Z-是反离子。