ethyl 4-[[(2-cyanoethyl)amino]methyl]-4-hydroxy-1-piperidinecarboxylate | 312928-44-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: ethyl 4-[[(2-cyanoethyl)amino]methyl]-4-hydroxy-1-piperidinecarboxylate
• 英文别名: Ethyl 4-[(2-cyanoethylamino)methyl]-4-hydroxypiperidine-1-carboxylate
• CAS: 312928-44-2
• 化学式: C₁₂H₂₁N₃O₃
• 分子量: 255.317
• InChiKey: NOZCCAKGIHNPRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  85.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-[[(2-cyanoethyl)amino]methyl]-4-hydroxy-1-piperidinecarboxylate 在 镍 氨 、 氢气 作用下， 以 甲醇 为溶剂， 生成 ethyl 4-[[(3-aminopropyl)amino]methyl]-4-hydroxy-1-piperidinecarboxylate
  参考文献：
  名称：

  PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES

  摘要：

  公开号：

  EP1187831B1
• 作为产物：
  描述：

  ethyl 4-(aminomethyl)-4-hydroxy-1-piperidinecarboxylic acid ester 、 丙烯腈 以 乙醇 为溶剂， 反应 48.0h， 生成 ethyl 4-[[(2-cyanoethyl)amino]methyl]-4-hydroxy-1-piperidinecarboxylate
  参考文献：
  名称：

  PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES

  摘要：

  公开号：

  EP1187831B1

文献信息

• Pyrrolidinyl, piperidinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives
  申请人：De Bruyn Frans Leopold Marcel

  公开号：US20050159406A1

  公开（公告）日：2005-07-21

  The present invention concerns compounds of formula (I) a stereochemically isomeric form thereof, an N-oxide form thereof or a pharmaceutically acceptable acid addition salt thereof, wherein -Z 1 -Z 2 - is a bivalent radical; R 1 , R 2 and R 3 are each independently selected from hydrogen, C 1-6 alkyl, hydroxy, halo and the like; or when R 1 and R 2 are on adjacent carbon atoms, R 1 and R 2 taken together may form a bivalent radical of formula; Alk is optionally substituted C 1-6 alkanediyl; the bivalent radical is a substituted piperidinyl, an optionally substituted pyrrolidinyl, homopiperidinyl, piperazinyl or tropyl; R 5 is a radical of formula wherein n is 1 or 2; p 1 is 0, and p 2 is 1 or 2; or p 1 is 1 or 2, and p 2 is 0; X is oxygen, sulfur or ═NR 9 ; Y is oxygen or sulfur; R 7 is hydrogen, C 1-6 alkyl, C 3-6 cycloalkyl, phenyl or phenylmethyl; R 8 is C 1-6 alkyl, C 3-6 cycloalkyl phenyl or phenylmethyl; R 9 is cyano, C 1-6 alkyl, C 3-6 cyclo-alkyl, C 1-6 alkyloxycarbonyl or aminocarbonyl; R 10 is hydrogen or C 1-6 alkyl; and Q is a bivalent radical. Processes for preparing said products, formulations comprising said products and their use as a medicine are disclosed, in particular for treating conditions which are related to impaired fundic relaxation.

  本发明涉及式（I）的化合物，其立体化学异构体，其N-氧化物形式或其药学上可接受的酸加成盐，其中-Z1-Z2-是双价基团；R1，R2和R3分别选自氢，C1-6烷基，羟基，卤素等；或当R1和R2位于相邻的碳原子上时，R1和R2可以共同形成式的双价基团；Alk是可选的取代C1-6烷二基基团；双价基团是取代的哌啶基，可选的取代吡咯烷基，同型哌啶基，哌嗪基或茄芷基；R5是式中的基团，其中n为1或2；p1为0，p2为1或2；或p1为1或2，p2为0；X为氧，硫或═NR9；Y为氧或硫；R7为氢，C1-6烷基，C3-6环烷基，苯基或苯甲基；R8为C1-6烷基，C3-6环烷基，苯基或苯甲基；R9为氰基，C1-6烷基，C3-6环烷基，C1-6烷氧羰基或氨基羰基；R10为氢或C1-6烷基；Q为双价基团。公开了制备该产品的过程，包括该产品的配方以及它们作为药物的用途，特别是用于治疗与胃底松弛受损有关的疾病。
• US6900222B1
  申请人：——

  公开号：US6900222B1

  公开（公告）日：2005-05-31
• US7358239B2
  申请人：——

  公开号：US7358239B2

  公开（公告）日：2008-04-15
• [EN] PYRROLIDINYL, PIPERIDINYL OR HOMOPIPERIDINYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES<br/>[FR] DERIVES SUBSTITUES DE PYRROLIDINYLE, DE PIPERIDINYLE OU D'HOMOPIPERIDINYLE (BENZODIOXANE, BENZOFURANE OU BENZOPYRANE)
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2000075137A1

  公开（公告）日：2000-12-14

  The present invention concerns compounds of formula (I), a stereochemically isomeric form thereof, an N-oxide form thereof or a pharmaceutically acceptable acid addition salt thereof, wherein -Z1-Z2- is a bivalent radical; R?1, R2 and R3¿ are each independently selected from hydrogen, C¿1-6?alkyl, hydroxy, halo and the like; or when R?1 and R2¿ are on adjacent carbon atoms, R?1 and R2¿ taken together may form a bivalent radical of formula; Alk is optionally substituted C¿1-6?alkanediyl; the bivalent radical (a) is a substituted piperidinyl, an optionally substituted pyrrolidinyl, homopiperidinyl, piperazinyl or tropyl; R?5¿ is a radical of formula (c-1), (c-2), (c-3), (c-4), (c-5) wherein n is 1 or 2; p1 is 0, and p2 is 1 or 2; or p1 is 1 or 2, and p2 is 0; X is oxygen, sulfur or =NR9; Y is oxygen or sulfur; R7 is hydrogen, C¿1-6?alkyl, C3-6cycloalkyl, phenyl or phenylmethyl; R?8¿ is C¿1-6?alkyl, C3-6cycloalkyl phenyl or phenylmethyl; R?9¿ is cyano, C¿1-6?alkyl, C3-6cyclo-alkyl, C1-6alkyloxycarbonyl or aminocarbonyl; R?10¿ is hydrogen or C¿1-6?alkyl; and Q is a bivalent radical. Processes for preparing said products, formulations comprising said products and their use as a medicine are disclosed, in particular for treating conditions which are related to impaired fundic relaxation.