2,5,7,8-tetramethyl-(2R-(4R,8R,12-trimethyltridecyl)-chroman-6-yloxy) butyric acid | 156908-82-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2,5,7,8-tetramethyl-(2R-(4R,8R,12-trimethyltridecyl)-chroman-6-yloxy) butyric acid
• 英文别名: alpha-Tocopheryloxybutyric acid；4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoic acid
• CAS: 156908-82-6
• 化学式: C₃₃H₅₆O₄
• 分子量: 516.805
• InChiKey: PPOILQZXAUZKCP-WTBTXGFSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  37
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,5,7,8-tetramethyl-(2R-(4R,8R,12-trimethyltridecyl)-chroman-6-yloxy) butyric acid 、 2,3,5,6-四氟苯酚 在 (1-cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylaminomorpholinocarbenium hexafluorophosphate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以170 mg的产率得到(2,3,5,6-tetrafluorophenyl) 4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoate
  参考文献：
  名称：

  LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS TO CNS TISSUE

  摘要：

  Disclosed herein are compounds comprising lipid PK/PD modulators for delivery of oligonucleotide-based agents, e.g., double-stranded RNAi agents, to certain cell types, such for example, CNS cells,in vivo. The PK/PD modulators disclosed herein, when conjugated to an oligonucleotide-based therapeutic or diagnostic agent, such as an RNAi agent, can enhance the delivery of the composition to the specified cells being targeted to facilitate the inhibition of gene expression in those cells.

  公开号：

  WO2023245061A2
• 作为产物：
  描述：

  methyl 4-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]butanoate 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2,5,7,8-tetramethyl-(2R-(4R,8R,12-trimethyltridecyl)-chroman-6-yloxy) butyric acid
  参考文献：
  名称：

  LIPID CONJUGATES FOR THE DELIVERY OF THERAPEUTIC AGENTS TO CNS TISSUE

  摘要：

  Disclosed herein are compounds comprising lipid PK/PD modulators for delivery of oligonucleotide-based agents, e.g., double-stranded RNAi agents, to certain cell types, such for example, CNS cells,in vivo. The PK/PD modulators disclosed herein, when conjugated to an oligonucleotide-based therapeutic or diagnostic agent, such as an RNAi agent, can enhance the delivery of the composition to the specified cells being targeted to facilitate the inhibition of gene expression in those cells.

  公开号：

  WO2023245061A2

文献信息

• [EN] TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF<br/>[FR] TOCOPHEROLS, TOCOTRIENOLS, AUTRES DERIVES A CHAINES CHROMANE ET LATERALES ET UTILISATIONS DE CES DERNIERS
  申请人：RES DEV FOUNDATION

  公开号：WO2001058889A1

  公开（公告）日：2001-08-16

  The present invention provides an antiproliferative compound having the structural formula (I) wherein X is oxygen, nitrogen or sulfur; Y is selected from the group consisting of oxygen, nitrogen and sulfur wherein when Y is oxygen or nitrogen, n is 1 and when Y is sulfur, n is 0. Also provided is a method for inducing apoptosis in a cell comprising administering a composition comprising a compound.

  本发明提供了一种抗增殖化合物，其结构式为（I），其中X为氧，氮或硫；Y从由氧，氮和硫组成的群组中选择，其中当Y为氧或氮时，n为1，当Y为硫时，n为0。还提供了一种诱导细胞凋亡的方法，包括给细胞施用含有该化合物的组合物。
• Tocopherols, tocotrienols, other chroman and side chain derivatives and uses thereof
  申请人：Research Development Foundation

  公开号：US20020156024A1

  公开（公告）日：2002-10-24

  The present invention provides an antiproliferative compound having the structural formula 1 wherein X is oxygen, nitrogen or sulfur; R 1 is alkyl, alkenyl, alkynyl, aryl, heteroaryl, carboxylic acid, carboxylate, carboxamide, ester, thioamide, thiolacid, thiolester, saccharide, alkoxy-linked saccharide, amine, sulfonate, sulfate, phosphate, alcohol, ethers and nitriles; R 2 is hydrogen, methyl, benzyl carboxylic acid, benzyl carboxylate, benzyl carboxamide, benzylester, saccharide and amine; R 3 is selected from the group consisting of hydrogen, methyl, benzyl carboxylic acid, benzyl carboxylate, benzyl carboxamide, benzylester, saccharide and amine; R 4 is of methyl, benzyl carboxylic acid, benzyl carboxylate, benzyl carboxamide, benzylester, saccharide and amine; and R 5 is alkyl, alkenyl, alkynyl, aryl, heteroaryl, carboxyl, amide and ester. Also provided is a method for inducing apoptosis in a cell comprising administering a composition comprising a compound.

  本发明提供一种抗增殖化合物，其结构式为1，其中X为氧、氮或硫；R1为烷基、烯基、炔基、芳基、杂芳基、羧酸、羧酸盐、羧酰胺、酯、硫酰胺、巯基酸、硫酯、糖、糖基醚、胺、磺酸盐、硫酸盐、磷酸盐、醇、醚和腈；R2为氢、甲基、苯甲酸苄酯、苯甲酸苄酸盐、苯甲酰胺苄酯、糖和胺；R3选自由氢、甲基、苯甲酸苄酯、苯甲酸苄酸盐、苯甲酰胺苄酯、糖和胺；R4为甲基、苯甲酸苄酯、苯甲酸苄酸盐、苯甲酰胺苄酯、糖和胺；R5为烷基、烯基、炔基、芳基、杂芳基、羧基、酰胺和酯。还提供了一种诱导细胞凋亡的方法，包括给细胞注射含有该化合物的组合物。
• TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF
  申请人：Sanders Bob G.

  公开号：US20080161349A1

  公开（公告）日：2008-07-03

  The present invention provides an antiproliferative compound having a structural formula where X and Y independently are oxygen, nitrogen or sulfur; R 1 is alkyl, alkenyl, alkynyl, aryl, heteroaryl, carboxylic acid, carboxylate, carboxamide, ester, thioamide, thiolacid, thiolester, saccharide, alkoxy-linked saccharide, amine, sulfonate, sulfate, phosphate, alcohol, ethers or nitriles; R 2 and R 3 are hydrogen or R 4 ; R 4 is methyl, benzyl carboxylic acid, benzyl carboxylate, benzyl carboxamide, benzylester, saccharide or amine; and R 1 is alkenyl; where when Y is nitrogen, said nitrogen is substituted with R 6 , wherein R 6 is hydrogen or methyl. Also provided are methods for treating a cell proliferative disease and for inducing apoptosis in a cell comprising administering this compound is also provided.

  本发明提供了一种抗增殖化合物，其具有以下结构式： 其中，X和Y独立地为氧、氮或硫；R1为烷基、烯基、炔基、芳基、杂环芳基、羧酸、羧酸盐、羧酰胺、酯、硫代酰胺、巯基酸、巯基酯、糖、烷氧基连接的糖、胺、磺酸盐、硫酸盐、磷酸盐、醇、醚或腈；R2和R3为氢或R4；R4为甲基、苄基羧酸、苄基羧酸盐、苄基羧酰胺、苄基酯、糖或胺；R1为烯基；当Y为氮时，所述氮被R6取代，其中R6为氢或甲基。本发明还提供了治疗细胞增殖性疾病和诱导细胞凋亡的方法，包括给予该化合物。
• Tocopherols, Tocotrienols, Other Chroman and Side Chain Derivatives and Uses Thereof
  申请人：Sanders Bob G.

  公开号：US20120251616A1

  公开（公告）日：2012-10-04

  The present invention provides an antiproliferative compound having a structural formula where X and Y independently are oxygen, nitrogen or sulfur; R 1 is alkyl, alkenyl, alkynyl, aryl, heteroaryl, carboxylic acid, carboxylate, carboxamide, ester, thioamide, thiolacid, thiolester, saccharide, alkoxy-linked saccharide, amine, sulfonate, sulfate, phosphate, alcohol, ethers or nitriles; R 2 and R 3 are hydrogen or R 4 ; R 4 is methyl, benzyl carboxylic acid, benzyl carboxylate, benzyl carboxamide, benzylester, saccharide or amine; and R 5 is alkenyl; where when Y is nitrogen, said nitrogen is substituted with R 6 , wherein R 6 is hydrogen or methyl. Also provided are methods for treating a cell proliferative disease and for inducing apoptosis in a cell comprising administering this compound is also provided.

  本发明提供了一种抗增殖化合物，其具有以下结构式： 其中X和Y分别是氧、氮或硫；R1是烷基、烯基、炔基、芳基、杂环芳基、羧酸、羧酸盐、羧酰胺、酯、硫代酰胺、硫酸酸、硫酸酯、糖、糖基醚、胺、磺酸盐、硫酸盐、磷酸盐、醇、醚或腈；R2和R3是氢或R4；R4是甲基、苯甲酸、苯甲酸盐、苯甲酰胺、苯酯、糖或胺；R5是烯基；当Y是氮时，所述氮被R6取代，其中R6是氢或甲基。本发明还提供了治疗细胞增殖性疾病和诱导细胞凋亡的方法，包括给予该化合物。
• EP1254130A4
  申请人：——

  公开号：EP1254130A4

  公开（公告）日：2003-04-23