(+/-)-1-[3-[[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl](phenylmethyl)-amino]-2-hydroxypropyl]-2,4-imidazolidinedione | 312933-47-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (+/-)-1-[3-[[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl](phenylmethyl)-amino]-2-hydroxypropyl]-2,4-imidazolidinedione
• 英文别名: 1-[3-[benzyl(3,4-dihydro-2H-chromen-2-ylmethyl)amino]-2-hydroxypropyl]imidazolidine-2,4-dione
• CAS: 312933-47-4
• 化学式: C₂₃H₂₇N₃O₄
• 分子量: 409.485
• InChiKey: ZZKASKLMZQUERL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  82.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  盐酸 、 (+/-)-1-[3-[[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl](phenylmethyl)-amino]-2-hydroxypropyl]-2,4-imidazolidinedione 在 palladium over charcoal 氢气 作用下， 以 甲醇 、 异丙醇 、 乙腈 为溶剂， 生成 (+/-)-1-[3-[[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl]amino]-2-hydroxypropyl]-2,4-imidazolidinedione monohydrochloride
  参考文献：
  名称：

  AMINOALKYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES

  摘要：

  公开号：

  EP1187829B1
• 作为产物：
  描述：

  (+/-)-1-(oxiranylmethyl)-2,4-imidazolidinedione 、 3,4-Dihydro-N-(phenylmethyl)-2H-1-benzopyran-2-methanamine 以 甲醇 为溶剂， 以27%的产率得到(+/-)-1-[3-[[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl](phenylmethyl)-amino]-2-hydroxypropyl]-2,4-imidazolidinedione
  参考文献：
  名称：

  AMINOALKYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES

  摘要：

  公开号：

  EP1187829B1

文献信息

• Aminoalkyl substituted (benzodioxan, benzofuran or benzopyran) derivatives
  申请人：Van Emelen Kristof

  公开号：US20050096378A1

  公开（公告）日：2005-05-05

  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 1 and Alk 2 are optionally substituted C 1-6 alkanediyl; R 6 is hydrogen or phenylmethyl; 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，其立体化学异构体形式，其N-氧化物形式或其药学上可接受的酸加合盐，其中-Z1-Z2-是二价基团；R1，R2和R3分别独立地选择自氢，C1-6烷基，羟基，卤素等；或当R1和R2在相邻碳原子上时，R1和R2结合在一起可以形成式的二价基团；Alk1和Alk2是可选择的取代的C1-6烷二基基团；R6是氢或苯甲基；R5是式其中n为1或2；p1为0，p2为1或2；或p1为1或2，p2为0；X是氧，硫或═NR9；Y是氧或硫；R7是氢，C1-6烷基，C3-6环烷基，苯基或苯甲基；R8是C1-6烷基，C3-6环烷基，苯基或苯甲基；R9是氰基，C1-6烷基，C3-6环烷基，C1-6烷氧基羰基或氨基羰基；R10是氢或C1-6烷基；Q是二价基团。公开了制备所述产品的方法，包括所述产品的配方以及其作为药物的用途，特别是用于治疗与胃底松弛受损相关的疾病。
• US6864273B1
  申请人：——

  公开号：US6864273B1

  公开（公告）日：2005-03-08
• US7273862B2
  申请人：——

  公开号：US7273862B2

  公开（公告）日：2007-09-25
• [EN] AMINOALKYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES<br/>[FR] DERIVES AMINOALKYLE SUBSTITUES (BENZODIOXANE, BENZOFURANE OU BENZOPYRANE)
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2000075136A1

  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; Alk1 and Alk2 are optionally substituted C¿1-6?alkanediyl; R?6¿ is hydrogen or phenylmethyl; R5 is a radical of formulae (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.