(Z)-((3-(dimethylamino)propanoyl)azanediyl)bis(ethane-2,1-diyl) dioleate | 1346225-48-6

• 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: (Z)-((3-(dimethylamino)propanoyl)azanediyl)bis(ethane-2,1-diyl) dioleate
• 英文别名: 3-(dimethylamino)-N,N-bis(2-((Z)-octadec-9-enoyloxy)ethyl)propanamide；3-(dimethylamino)-N,N-bis(2-((Z)-octadec-9-enoyloxy)ethyl)propanamido；2-[3-(dimethylamino)propanoyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethyl (Z)-octadec-9-enoate
• CAS: 1346225-48-6
• 化学式: C₄₅H₈₄N₂O₅
• 分子量: 733.172
• InChiKey: SVRREBJWEVLTEQ-WRBBJXAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.4
• 重原子数：
  52
• 可旋转键数：
  41
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  76.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (Z)-((3-(dimethylamino)propanoyl)azanediyl)bis(ethane-2,1-diyl) dioleate 、 2-溴乙醇 在 silica gel 、 methanol-dichloromethane 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以yielded 3-(bis(2-(oleoyloxy)ethyl)amino)-N-(2-hydroxyethyl)-N,N-dimethyl-3-oxopropan-1-aminium bromide (160 mg)的产率得到3-(bis(2-(oleoyloxy)ethyl)amino)-N-(2-hydroxyethyl)-N,N-dimethyl-3-oxo-propan-1-aminium bromide
  参考文献：
  名称：

  Cationic lipids for therapeutic agent delivery formulations

  摘要：

  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。

  公开号：

  US09011903B2
• 作为产物：
  描述：

  tert-butyl N,N-bis(2-((Z)-octadec-9-enoyloxy)ethyl)carbamate 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 0.33h， 生成 (Z)-((3-(dimethylamino)propanoyl)azanediyl)bis(ethane-2,1-diyl) dioleate
  参考文献：
  名称：

  LIPIDS FOR THERAPEUTIC AGENT DELIVERY FORMULATIONS

  摘要：

  该描述针对可用于增强脂质体中治疗剂传递的可电离脂质。

  公开号：

  US20130330401A1

文献信息

• LIPID NANO PARTICLES COMPRISING COMBINATION OF CATIONIC LIPID
  申请人：KYOWA HAKKO KIRIN CO., LTD.

  公开号：US20140045913A1

  公开（公告）日：2014-02-13

  The present invention provides a lipid nano-particles, which allow nucleic acids to be easily introduced into cells, comprising a cationic lipid represented by formula (I) (wherein: R 1 and R 2 are, the same or different, alkenyl, etc, and X 3 is absent or is alkyl, etc, X 1 and X 2 are hydrogen atoms, or are combined together to form a single bond or alkylene, and Y 1 is absent or anion, L 1 is a single bond, etc, R 3 is alkyl, etc), and a cationic lipid represented by formula (II) (wherein: R 4 and R 5 are, the same or different, alkenyl, etc, and X 4 and X 5 are hydrogen atoms, or are combined together to form a single bond or alkylene, and X 6 is absent or is alkyl, etc, Y 2 is absent or anion, a and b are, the same or different, 0 to 3, and L 4 is a single bond, etc, R 6 is alkyl, etc, L 2 and L 3 are —O—, —CO—O— or —O—CO—), and the like.

  本发明提供了一种脂质纳米粒子，可以使核酸轻松地进入细胞，包括由式(I)表示的阳离子脂质（其中：R1和R2是相同或不同的烯基等，X3不存在或是烷基等，X1和X2是氢原子，或结合在一起形成单键或亚烷基，Y1不存在或是阴离子，L1是单键等，R3是烷基等），以及由式(II)表示的阳离子脂质（其中：R4和R5是相同或不同的烯基等，X4和X5是氢原子，或结合在一起形成单键或亚烷基，X6不存在或是烷基等，Y2不存在或是阴离子，a和b是相同或不同的0到3，L4是单键等，R6是烷基等，L2和L3是—O—，—CO—O—或—O—CO—）等。
• 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。
• Lipids for Therapeutic Agent Delivery Formulations
  申请人：Nitto Denko Corporation

  公开号：US20160074514A1

  公开（公告）日：2016-03-17

  The description is directed to ionizable lipids useful for enhancing the delivery of therapeutic agents in liposomes.

  本文描述了可离子化脂质，用于增强脂质体中治疗剂的传递。
• 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。
• TARGETING MOLECULE AND UTILIZATION THEREOF
  申请人：Nitto Denko Corporation

  公开号：EP3127915A1

  公开（公告）日：2017-02-08

  Provided are: a targeting molecule targeting a target cell which is selected from the group consisting of a stellate cell, a myofibroblast, a cancer-associated fibroblast, a tumor cell and a cell expressing STRA6, said targeting molecule being selected from the group consisting of (1) a peptide containing an amino acid sequence in the cell-binding region of RBP, (2) a variant peptide of the aforesaid peptide (1), said variant peptide having a comparable targetability to peptide (1), and (3) a peptide mimetic having a comparable targetability to peptide (1) or peptide (2); a targeting agent, a carrier, a complex and a medicinal composition each comprising the targeting molecule; a method for treating, examining, diagnosing or monitoring a disease related to the aforesaid target cell; a method for labeling, detecting or imaging the target cell, etc.

  提供了一种靶向分子，其靶向的靶细胞选自由星状细胞、肌成纤维细胞、癌相关成纤维细胞、肿瘤细胞和表达 STRA6 的细胞组成的组，所述靶向分子选自由以下组成的组 (1) 含有 RBP 细胞结合区氨基酸序列的多肽、(2) 上述多肽（1）的变体多肽，所述变体多肽具有与多肽（1）相当的靶向性；以及 (3) 具有与多肽（1）或多肽（2）相当的靶向性的多肽模拟物；一种靶向制剂、一种载体、一种复合物和一种药物组合物，每一种都包含靶向分子；一种治疗、检查、诊断或监测与上述靶细胞有关的疾病的方法；一种对靶细胞进行标记、检测或成像的方法等。