3-((3,4,4',5-tetramethoxy-(Z)-stilbene-3'-yl)oxy)methyl-1,2-dimethyl-5-(4-methylpiperazin-1-yl)indole-4,7-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 3-((3,4,4',5-tetramethoxy-(Z)-stilbene-3'-yl)oxy)methyl-1,2-dimethyl-5-(4-methylpiperazin-1-yl)indole-4,7-dione
• 英文别名: 3-[[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]methyl]-1,2-dimethyl-5-(4-methylpiperazin-1-yl)indole-4,7-dione
• 化学式: C₃₄H₃₉N₃O₇
• 分子量: 601.7
• InChiKey: LNYICICQFYRMFT-HJWRWDBZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  91.7
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-((3,4,4',5-tetramethoxy-(Z)-stilbene-3'-yl)oxy)methyl-1,2-dimethyl-5-(4-methylpiperazin-1-yl)indole-4,7-dione 在 一氧化二氮 作用下， 以 水 、 异丙醇 为溶剂， 生成 (Z)-3,4,5,4',-四甲氧基-3'-羟基二苯乙烯
  参考文献：
  名称：

  [EN] BIOREDUCTIVELY ACTIVATED STILBENE PRODRUGS
  [FR] PRODROGUES DE STILBENE A ACTIVATION PAR REDUCTION BIOLOGIQUE

  摘要：

  式（1）的化合物，或其药学上可接受的盐，其中Ar是一个带有至少一个硝基或偶氮基团的取代杂芳基团，或是一个式（2）或（3）的基团；R1是氢、可选择地取代的烷基、可选择地取代的芳基或可选择地取代的杂芳基；R2是烷基、烷氧基、硫代烷氧基或卤素；R3、R4和R5各自独立地是烷基、烷氧基、硫代烷氧基或卤素，但至少有两个R3、R4或R5是烷氧基；L是-OC（O）-或-OP（O）（OR6）-；n为0或1；X是O、S或NR7；Y是氢、烷基、烷氧基、硫代烷氧基、卤素、羟基或二氢磷酸酯；R6是氢或烷基；R7是氢或烷基；R8是氢、烷氧基或二烷基氨基烷基；R9是可选择地取代的烷基；R10是氢、烷基、烷氧基或二烷基氨基烷基；R11和R12各自独立地是氢、烷基、烷氧基、硫代烷氧基、氨基烷基氨基、二烷基氨基、吗啉基、烷基吗啉基、哌啶基、烷基哌啶基、哌嗪基、烷基哌嗪基或1-氮杂环丙基；A，与其融合的碳原子一起，是一个可选择地取代的芳基或杂芳基环。

  公开号：

  WO2004085361A1
• 作为产物：
  描述：

  N-甲基哌嗪 、 5-methoxy-3-((3,4,4',5-tetramethoxy-(Z)-stilbene-3'-yl)oxy)methyl-1,2-dimethylindole-4,7-dione 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 48.0h， 以47%的产率得到3-((3,4,4',5-tetramethoxy-(Z)-stilbene-3'-yl)oxy)methyl-1,2-dimethyl-5-(4-methylpiperazin-1-yl)indole-4,7-dione
  参考文献：
  名称：

  [EN] BIOREDUCTIVELY ACTIVATED STILBENE PRODRUGS
  [FR] PRODROGUES DE STILBENE A ACTIVATION PAR REDUCTION BIOLOGIQUE

  摘要：

  式（1）的化合物，或其药学上可接受的盐，其中Ar是一个带有至少一个硝基或偶氮基团的取代杂芳基团，或是一个式（2）或（3）的基团；R1是氢、可选择地取代的烷基、可选择地取代的芳基或可选择地取代的杂芳基；R2是烷基、烷氧基、硫代烷氧基或卤素；R3、R4和R5各自独立地是烷基、烷氧基、硫代烷氧基或卤素，但至少有两个R3、R4或R5是烷氧基；L是-OC（O）-或-OP（O）（OR6）-；n为0或1；X是O、S或NR7；Y是氢、烷基、烷氧基、硫代烷氧基、卤素、羟基或二氢磷酸酯；R6是氢或烷基；R7是氢或烷基；R8是氢、烷氧基或二烷基氨基烷基；R9是可选择地取代的烷基；R10是氢、烷基、烷氧基或二烷基氨基烷基；R11和R12各自独立地是氢、烷基、烷氧基、硫代烷氧基、氨基烷基氨基、二烷基氨基、吗啉基、烷基吗啉基、哌啶基、烷基哌啶基、哌嗪基、烷基哌嗪基或1-氮杂环丙基；A，与其融合的碳原子一起，是一个可选择地取代的芳基或杂芳基环。

  公开号：

  WO2004085361A1

文献信息

• Bioreductively activated stilbene prodrugs
  申请人：Davis David Peter

  公开号：US20060223827A1

  公开（公告）日：2006-10-05

  A compound of formula (1), or a pharmaceutically acceptable salt thereof, wherein Ar is a substituted heteroaryl group bearing at least one nitro or azido group or is a group of formula (2) or (3); R1 is hydrogen, optionally substituted alkyl, optionally substituted aryl or optionally substituted heteroaryl; R 2 is alkyl, alkoxy, thialkoxy or halo; R 3 , R 4 and R 5 are each independently alkyl, alkoxy, thialkoxy or halo with the proviso that at least two of R 3 , R 4 or R 5 are alkoxy; L is —OC(O)— or —OP(O)(OR 6 )—; n is 0 or 1; X is O, S or NR 7 ; Y is hydrogen, alkyl, alkoxy, thialkoxy, halo, hydroxy or dihydrogenphosphate; R 6 is hydrogen or alkyl; R 7 is hydrogen or alkyl; R 8 is hydrogen, alkoxy or dialkylaminoalkyl; R 9 is optionally substituted alkyl; R 10 is hydrogen, alkyl, alkoxy or dialkylaminoalkyl; R 11 , and R 12 are independently hydrogen, alkyl, alkoxy, thialkoxy, amono alkylamino, dialkylamino, morpholino, alkylmorpholino, piperidino, alkylpiperidiono, piperazino, alkylpiperazino or 1-aziridinyl; and A, together with the carbon atoms to which it is fused, is an optionally substituted aryl or heteroaryl ring.

  公式（1）的化合物或其药学上可接受的盐，其中Ar是带有至少一个硝基或偶氮基的取代杂环基团，或是公式（2）或（3）的基团；R1是氢、可选取代的烷基、可选取代的芳基或可选取代的杂环基；R2是烷基、烷氧基、硫代烷氧基或卤素；R3、R4和R5各自独立地是烷基、烷氧基、硫代烷氧基或卤素，但至少有两个R3、R4或R5是烷氧基；L是-OC（O）-或-OP（O）（OR6）-；n是0或1；X是O、S或NR7；Y是氢、烷基、烷氧基、硫代烷氧基、卤素、羟基或二氢磷酸酯；R6是氢或烷基；R7是氢或烷基；R8是氢、烷氧基或二烷基氨基烷基；R9是可选取代的烷基；R10是氢、烷基、烷氧基或二烷基氨基烷基；R11和R12各自独立地是氢、烷基、烷氧基、硫代烷氧基、氨基烷基、二烷基氨基、吗啉、烷基吗啉、哌啶、烷基哌啶、哌嗪、烷基哌嗪或1-氮杂环基；A与其融合的碳原子一起是可选取代的芳基或杂环基。
• EP1618084A1
  申请人：——

  公开号：EP1618084A1

  公开（公告）日：2006-01-25
• Treatment of inflammatory disorders
  申请人：An Frank Wenqian

  公开号：US20060276440A1

  公开（公告）日：2006-12-07

  Methods of treating an inflammatory disorder include administering an effective amount of a compound represented by Structural Formula (I): Ring A is optionally substituted, contains zero, one, two, or three double bonds, and is optionally fused to an aliphatic, aryl or heteroaryl ring; X is an optionally substituted 1 to 3 carbon aliphatic chain that is optionally fused to a monocyclic, optionally substituted, aliphatic, heterocyclic, aryl, or heteroaryl ring, wherein one or two carbons in X are optionally replaced with —O—, —S—, or —NR e —; Y is carbon or nitrogen; R 1 and R 2 are independently —H, —OH, —CN, —NO 2 , —NR f R g , halogen, optionally substituted alkyl, or optionally substituted alkoxy; or R 1 and R 2 together link the carbons to which they are bonded with a bond, —O—, —S—, or —NR h —; R 3 and R 4 are independently —H, —OH, —CN, —NO 2 , —NR i R j , halogen, optionally substituted alkyl, or optionally substituted alkoxy, or R 4 is ═O; or R 3 and R 4 , taken together with the atoms to which they are bonded, form a monocyclic, optionally substituted, aliphatic, heterocyclic, aryl, or heteroaryl ring that is optionally fused to a monocyclic or bicyclic, optionally substituted, aliphatic, heterocyclic, aryl, or heteroaryl ring; R e -R j are independently —H or optionally substituted alkyl; and each of the OSM signaling inhibitor compounds has at least one hydrogen atom bonded to an oxygen, nitrogen, or sulfur atom. The OSM signaling inhibitor compounds also include pharmaceutically acceptable salt or solvates of the compounds represented by Structural Formula (I).