2-((2-(bis(2-(tetradecanoyloxy)ethyl)amino)-2-oxoethyl)thio)-N-(2-hydroxyethyl)-N,N-dimethylethanaminium bromide | 1415981-70-2

• 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: 2-((2-(bis(2-(tetradecanoyloxy)ethyl)amino)-2-oxoethyl)thio)-N-(2-hydroxyethyl)-N,N-dimethylethanaminium bromide
• 英文别名: 2-[2-[bis(2-tetradecanoyloxyethyl)amino]-2-oxoethyl]sulfanylethyl-(2-hydroxyethyl)-dimethylazanium;bromide
• CAS: 1415981-70-2
• 化学式: Br*C₄₀H₇₉N₂O₆S
• 分子量: 796.047
• InChiKey: GWGBQTLWISGCHW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.11
• 重原子数：
  50
• 可旋转键数：
  39
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  ((tert-butoxycarbonyl)azanediyl)bis(ethane-2,1-diyl) ditetradecanoate 在 potassium phosphate 、 dipotassium hydrogenphosphate 、 potassium hydrogencarbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.17h， 生成 2-((2-(bis(2-(tetradecanoyloxy)ethyl)amino)-2-oxoethyl)thio)-N-(2-hydroxyethyl)-N,N-dimethylethanaminium bromide
  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

• 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：Niitsu Yoshiro

  公开号：US09011903B2

  公开（公告）日：2015-04-21

  Here described are compounds of formula I: wherein R1 and R2 is independently selected from a group consisting of C10 to C18 alkyl, C12 to C18 alkenyl, and oleyl group; wherein R3 and R4 are independently selected from a group consisting of C1 to C6 alkyl, and C2 to C6 alkanol; wherein X is selected from a group consisting of —CH2—, —S—, and —O— or absent; wherein Y is selected from —(CH2)n, —S(CH2)n, —O(CH2)n—, thiophene, —SO2(CH2)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.

  本文描述了化合物I的公式，其中R1和R2分别选自由C10到C18烷基，C12到C18烯基和油酰基的组；R3和R4分别选自由C1到C6烷基和C2到C6醇的组；X选自由—CH2—，—S—和—O—或缺失的组；Y选自由—（CH2）n，—S（CH2）n，—O（CH2）n—，噻吩，—SO2（CH2）n—和酯的组，其中n = 1-4；a = 1-4；b = 1-4；c = 1-4；Z为反离子；以及包括化合物I的组成物和药物制剂，其对于治疗剂的输送是有用的；以及使用这些组成物和制剂的方法。
• 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。
• SKIN FIBROSIS TREATMENT AGENT
  申请人：Nitto Denko Corporation

  公开号：EP3536343A1

  公开（公告）日：2019-09-11

  The present invention relates to: a carrier for delivering a retinoid-containing substance used by extracellular-matrix-producing cells in the skin; a skin fibrosis treatment agent using said carrier; a preparation kit for said treatment agent; a production method for said carrier; and a production method for said treatment agent.

  本发明涉及：一种用于输送皮肤细胞外基质生成细胞所使用的含维甲酸物质的载体；一种使用所述载体的皮肤纤维化治疗剂；一种用于所述治疗剂的制备试剂盒；一种用于所述载体的生产方法；以及一种用于所述治疗剂的生产方法。
• 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）。