1-(4-methoxy-3-(1-methyl-4-(5-nitrothien-2-yl)piperidin-4-yl)oxycarbonyl)phenyl-2-(3,4,5-trimethoxy)phenyl-Z-ethene

• 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: 1-(4-methoxy-3-(1-methyl-4-(5-nitrothien-2-yl)piperidin-4-yl)oxycarbonyl)phenyl-2-(3,4,5-trimethoxy)phenyl-Z-ethene
• 英文别名: [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] [1-methyl-4-(5-nitrothiophen-2-yl)piperidin-4-yl] carbonate
• 化学式: C₂₉H₃₂N₂O₉S
• 分子量: 584.647
• InChiKey: PRSAKYCJDYGAAU-SREVYHEPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  41
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  150
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  1-(4-methoxy-3-(1-methyl-4-(5-nitrothien-2-yl)piperidin-4-yl)oxycarbonyl)phenyl-2-(3,4,5-trimethoxy)phenyl-Z-ethene 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 PRODRUGS
  [FR] PRODROGUES ACTIVÉES PAR BIORÉDUCTION

  摘要：

  公开号：

  WO2004085421A3
• 作为产物：
  描述：

  4-hydroxy-1-methyl-4-(5-nitrothien-2-yl)piperidine 、 combretastatin A4 chloroformate 在 吡啶 作用下， 以 DMF (N,N-dimethyl-formamide) 、 二氯甲烷 、 甲苯 为溶剂， 反应 2.0h， 生成 1-(4-methoxy-3-(1-methyl-4-(5-nitrothien-2-yl)piperidin-4-yl)oxycarbonyl)phenyl-2-(3,4,5-trimethoxy)phenyl-Z-ethene
  参考文献：
  名称：

  [EN] BIOREDUCTIVELY-ACTIVATED PRODRUGS
  [FR] PRODROGUES ACTIVÉES PAR BIORÉDUCTION

  摘要：

  公开号：

  WO2004085421A3

文献信息

• Bioreductively-activated prodrugs
  申请人：Davis David Peter

  公开号：US20070099871A1

  公开（公告）日：2007-05-03

  The present invention relates to a compound of formula (1), or a pharmaceutically acceptable salt thereof, wherein: Ar is a substituted aryl or heteroaryl group bearing at least one nitro or azido group or is a group of formula (2) or (3) wherein R 1 , and R 2 , which may be the same or different are independently optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl, aryl, COR 3 or, together with the intervening carbon atom, form an optionally substituted heterocycloalkyl or carbocyclic ring; L is —OC(O)— or —OP(O)(OR 6 )—; n is 0 or 1; X is 0, S, NR 7 or a single covalent bond; R 3 is OR 4 or NR 4 R 5 ; R 4 , R 5 , R 6 and R 7 are each independently hydrogen or optionally substituted alkyl or, where R r is NR 4 R 5 , R 4 and R 5 can be joined to form, together with the intervening nitrogen atom, a heterocycloalkyl ring; R 8 is hydrogen, alkoxy or dialkylaminoalkyl; R 9 is optionally substituted alkyl; Rio is hydrogen, alkyl, alkoxy or dialkylaminoalkyl; R 11 and R 12 are independently hydrogen, alkyl, alkoxy, thioalkoxy, amino, alkylamino, dialkylamino, morpholino, piperidino, piperazino or 1=aziridinyl; A is an optionally substituted aryl or heteroaryl ring; and Dr is a moiety such that DrXH represents a cytotoxic or cytostatic compound.

  本发明涉及一种式（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芳基或杂环芳基基团，或是式（2）或（3）中的基团，其中R1和R2，可以相同也可以不同，独立地是可选取代的烷基、可选取代的烯基、可选取代的炔基、芳基、COR3，或者与介于其间的碳原子形成可选取代的杂环烷基或碳环烷基；L是—OC（O）—或—OP（O）（OR6）—；n为0或1；X为0、S、NR7或单一共价键；R3为OR4或NR4R5；R4、R5、R6和R7各自独立地为氢或可选取代的烷基，或者当Rr为NR4R5时，R4和R5可以结合形成介于其间的氮原子的杂环烷基环；R8为氢、烷氧基或二烷基氨基烷基；R9为可选取代的烷基；Rio为氢、烷基、烷氧基或二烷基氨基烷基；R11和R12各自独立地为氢、烷基、烷氧基、硫代烷氧基、氨基、烷基氨基、二烷基氨基、吗啡啉基、哌啶基、哌嗪基或1=氮杂环丙烷基；A为可选取代的芳基或杂环芳基环；Dr是一种基团，使得DrXH代表一种细胞毒性或细胞抑制剂化合物。
• EP1613612A2
  申请人：——

  公开号：EP1613612A2

  公开（公告）日：2006-01-11
• JP2006523202A
  申请人：——

  公开号：JP2006523202A

  公开（公告）日：2006-10-12
• 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).
• [EN] TREATMENT OF INFLAMMATORY DISORDERS<br/>[FR] TRAITEMENT DE TROUBLES INFLAMMATOIRES
  申请人：BIONAUT PHARMACEUTICALS INC

  公开号：WO2006074192A2

  公开（公告）日：2006-07-13

  [EN] 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; R₁ and R₂ are independently -H, -OH, -CN, -NO₂, -NR^fR^g, halogen, optionally substituted alkyl, or optionally substituted alkoxy; or R₁ and R₂ together link the carbons to which they are bonded with a bond, -O-, -S-, or -NR^h-; R₃ and R₄ are independently -H, -OH, -CN, -NO₂, -NRⁱR^j, halogen, optionally substituted alkyl, or optionally substituted alkoxy, or R₄ is =0; or R₃ and R₄, 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).
  [FR] L'invention concerne des méthodes de traitement d'un trouble inflammatoire, qui comprennent l'administration d'une quantité efficace d'un composé représenté par la formule structurale (I), dans laquelle: le noyau A, éventuellement substitué, contient zéro, une, deux ou trois liaisons doubles et est éventuellement fusionné à un noyau aliphatique, aryle ou hétéroaryle; X représente une chaîne aliphatique de 1 à 3 atomes de carbone éventuellement substituée, qui est éventuellement fusionnée à un noyau monocyclique aliphatique, hétérocyclique, aryle ou hétéroaryle éventuellement substitué, un ou deux atomes de carbone de X étant éventuellement remplacés par -O-, -S- ou -NR^e-; Y représente carbone ou azote; R₁ et R₂ représentent indépendamment -H, -OH, -CN, -NO₂, -NR^fR^g, halogène, alkyle éventuellement substitué ou alcoxy éventuellement substitué; ou R₁ et R₂ relient ensemble les carbones auxquels ils sont liés par une liaison -O-, -S- ou -NR^h-; R₃ et R₄ représentent indépendamment -H, -OH, -CN, -NO₂, -NRⁱR^j, halogène, alkyle éventuellement substitué ou alcoxy éventuellement substitué, ou R₄ représente =0; ou R₃ et R₄ forment ensemble, avec les atomes auxquels ils sont liés, un noyau monocyclique aliphatique, hétérocyclique, aryle ou hétéroaryle éventuellement substitué qui est éventuellement fusionné à un noyau monocyclique ou bicyclique, aliphatique, hétérocyclique, aryle ou hétéroaryle éventuellement substitué; R^e-R^j représentent indépendamment -H ou alkyle éventuellement substitué; et chacun des composés inhibiteurs de signalisation d'OSM comporte au moins un atome d'hydrogène lié à un atome d'oxygène, d'azote ou de soufre. Les composés inhibiteurs de signalisation d'OSM comprennent aussi un sel ou des solvates pharmaceutiquement acceptables des composés représentés par la formule structurale (I).