(+/-)-ethyl 4-[[3-[bis-(phenylmethyl)amino]propyl]amino]-3-methoxy-1-piperidinecarboxylate | 312928-10-2

• 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-[[3-[bis-(phenylmethyl)amino]propyl]amino]-3-methoxy-1-piperidinecarboxylate
• 英文别名: ethyl 4-[3-(dibenzylamino)propylamino]-3-methoxypiperidine-1-carboxylate
• CAS: 312928-10-2
• 化学式: C₂₆H₃₇N₃O₃
• 分子量: 439.598
• InChiKey: LGTWKDGHIGRQKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (+/-)-ethyl 4-[[3-[bis-(phenylmethyl)amino]propyl]amino]-3-methoxy-1-piperidinecarboxylate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 以100%的产率得到(+/-)-ethyl 4-[(3-aminopropyl)amino]-3-methoxy-1-piperidine-carboxylate
  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：

  1-Amino-3-dibenzylaminopropane 、 1-(N-乙氧羰基)-3-甲氧基-4-哌啶酮 在 platinum on carbon 噻吩 、 氢气 作用下， 以 甲醇 为溶剂， 生成 (+/-)-ethyl 4-[[3-[bis-(phenylmethyl)amino]propyl]amino]-3-methoxy-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。
• Pyrrolidinyl, piperdinyl or homopiperidinyl substituted (benzodioxan, benzofuran or benzopyran) derivatives
  申请人：De Bruyn Marcel Frans Leopold

  公开号：US06900222B1

  公开（公告）日：2005-05-31

  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 thereon 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.

  本发明涉及公式（I）化合物，其立体化学异构体形式，N-氧化物形式或其药学上可接受的酸加合物盐，其中- Z1-Z2-是一个二价基团; R1，R2和R3分别选择自氢，C1-6烷基，羟基，卤素等; 或当R1和R2在相邻的碳原子上时，R1和R2可以共同形成一个公式的二价基团; Alk是可选的取代C1-6烷二基; 二价基团是取代的哌啶基，可选的取代的吡咯烷基，同型哌啶基，哌嗪基或茄梗基; R5是公式的基团，其中n为1或2; p1为0，p2为1或2; 或者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环烷基氧羰基或氨基羰基; R10为氢或C1-6烷基; Q为二价基团。公开了制备上述产品的方法，包括该产品的制剂和其作为药物的用途，特别是用于治疗与受损的幽门松弛有关的疾病。