ethyl 4-[[[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)carbonyl]-amino]methyl]-3-methoxy-1-piperidinecarboxylate | 278805-59-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: ethyl 4-[[[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)carbonyl]-amino]methyl]-3-methoxy-1-piperidinecarboxylate
• 英文别名: ethyl 4-[[(7-chloro-2,3-dihydro-1,4-benzodioxine-5-carbonyl)amino]methyl]-3-methoxypiperidine-1-carboxylate
• CAS: 278805-59-7
• 化学式: C₁₉H₂₅ClN₂O₆
• 分子量: 412.87
• InChiKey: FSAPIFCNCRHTCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  86.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 4-[[[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)carbonyl]-amino]methyl]-3-methoxy-1-piperidinecarboxylate 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 生成 (cis)-7-chloro-2,3-dihydro-N-[(3-methoxy-4-piperidinyl)methyl]-1,4-benzodioxin-5-carboxamide
  参考文献：
  名称：

  4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders

  摘要：

  本发明涉及化合物的公式(I)，其立体化学异构体形式，N-氧化物形式或药用可接受的酸加成盐形式，其中—R1—R2—是一个公式的双价基团，在所述双价基团中，一个或两个氢原子可以被C1-6烷基或羟基取代；R3为氢或卤素；R4为氢或C1-6烷基；R5为氢或C1-6烷基；L为C3-6环烷基，氧代C5-6环烷基，C2-6烯基，或L为公式—Alk—R6—、Alk—X—R7、—Alk—Y—C(═O)—R9或—Alk—Y—C(═O)—NR11R12的基团，其中每个Alk为C1-12烷二基；R6为氢、氨基、氰基、C1-6烷基磺酰氨基、C3-6环烷基、氧代C5-6环烷基、芳基或杂环体；R7为氢、C1-6烷基、羟基C1-6烷基、C3-6环烷基、芳基或杂环体；X为O、S、SO2或NR8；其中R8为氢或C1-6烷基；R9为氢、C1-6烷基、C3-6环烷基、C1-6烷氧基、羟基或芳基；Y为直接键或NR10；其中R10为氢或C1-6烷基；R11和R12各自独立地为氢、C1-6烷基、C3-6环烷基，或R11和R12与氮原子结合可形成选择性取代的吡咯烷基、哌啶基、哌嗪基或4-吗啉基环。公开了制备所述产品的方法、包含所述产品的配方以及它们作为药物的用途，特别用于治疗或预防胃肠道疾病。

  公开号：

  US06544997B1

文献信息

• 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES FOR TREATING GASTROINTESTINAL DISORDERS
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1140915A1

  公开（公告）日：2001-10-10
• US6544997B1
  申请人：——

  公开号：US6544997B1

  公开（公告）日：2003-04-08
• US7205410B2
  申请人：——

  公开号：US7205410B2

  公开（公告）日：2007-04-17
• [EN] 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES FOR TREATING GASTROINTESTINAL DISORDERS<br/>[FR] 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES PERMETTANT DE TRAITER LES TROUBLES GASTRO-INTESTINAUX
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2000037461A1

  公开（公告）日：2000-06-29

  The present invention of compounds of formula (I), a stereochemically isomeric form thereof, an N-oxide form thereof or a pharmaceutically acceptable acid addition salt thereof, -R1-R2- is a bivalent radical of formula wherein in said bivalent radicals one or two hydrogen atoms may be substituted with C¿1-6?alkyl or hydroxy; R?3¿ is hydrogen or halo; R4 is hydrogen or C¿1-6?alkyl; R?5¿ is hydrogen or C¿1-6?alkyl; L is C3-6cycloalkyl, oxoC5-6cycloalkyl, C2-6alkenyl, or L is a radical of formula -Alk-R?6¿-, Alk-X-R7, -Alk-Y-C(=O)-R9, or -Alk-Y-C(=O)-NR11R12 wherein each Alk is C¿1-12?alkanediyl; and R?6¿ is hydrogen, amino, cyano, C¿1-6?alkylsulfonylamino, C3-6cycloalkyl, oxoC5-6cycloalkyl, aryl or a heterocyclic ringsystem; R?7¿ is hydrogen, C¿1-6?alkyl, hydroxyC1-6alkylC3-6cycloalkyl, aryl or a heterocyclic ringsystem; X is O, S, SO2 or NR?8¿; said R8 being hydrogen or C¿1-6?alkyl; R?9¿ is hydrogen, C¿1-6?alkyl, C3-6cycloalkyl, C1-6alkyloxy, hydroxy or aryl; Y is a direct bond or NR?10¿; said R10 being hydrogen, or C¿1-6?alkyl; R?11 and R12¿ each independently are hydrogen, C¿1-6?alkyl, C3-6cycloalkyl, or R?11 and R12¿ combined with the nitrogen atom may form an optionally substituted pyrrolidinyl, piperidinyl, piperazinyl or 4-morpholinyl ring. Processes for preparing said products, formulations comprising said products and their use as a medicine are disclosed, in particular for treating or preventing gastrointestinal disorders.