(+/-)-1-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-2(1H)pyrimidinone | 312933-52-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (+/-)-1-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-2(1H)pyrimidinone
• 英文别名: (+/-)-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-2(1H)pyrimidinone；1-[3-(dibenzylamino)-2-hydroxypropyl]pyrimidin-2-one
• CAS: 312933-52-1
• 化学式: C₂₁H₂₃N₃O₂
• 分子量: 349.433
• InChiKey: HDNFRIGUENGYSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  56.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (+/-)-1-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-2(1H)pyrimidinone 在 palladium 10% on activated carbon 盐酸 、 氢气 作用下， 以 甲醇 、 异丙醇 为溶剂， 生成 tetrahydra-1-[2-hydroxy-3-[(phenylmethyl)amino]propyl]-2(1H)pyrimidinone
  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：

  2-羟基嘧啶盐酸盐 、 N,N-dibenzyl-2,3-epoxypropylamine 在 sodium carbonate 、 水 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 1.0h， 以45%的产率得到(+/-)-1-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-2(1H)pyrimidinone
  参考文献：
  名称：

  AMINOALKYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES

  摘要：

  公开号：

  EP1187829B1
• 作为试剂：
  描述：

  2-羟基嘧啶 、 disodium;carbonate 、 N,N-dibenzyl-2,3-epoxypropylamine 、 水 在 水 、 silica gel 、 methanol-dichloromethane 、 (+/-)-1-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-2(1H)pyrimidinone 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 17.0h， 以yielding 26.55 g of (±)-1-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-2(1H)pyrimidinone (intermediate 4)的产率得到(+/-)-1-[3-[bis(phenylmethyl)amino]-2-hydroxypropyl]-2(1H)pyrimidinone
  参考文献：
  名称：

  Aminoalkyl substituted (benzodioxan, benzofuran or benzopyran) derivatives

  摘要：

  本发明涉及公式（I）的化合物及其立体化学异构体、N-氧化物形式或药学上可接受的酸加合物盐，其中-Z1-Z2-是双价基团；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可一起形成公式的双价基团；Alk1和Alk2是可选的取代的C1-6烷二基；R6是氢或苯甲基；R5是公式的基团，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烷氧羰基或氨基羰基；R10是氢或C1-6烷基；Q是双价基团。公开了制备所述产品的方法、包含所述产品的制剂及其用作药物的用途，特别是用于治疗与胃底松弛受损有关的疾病。

  公开号：

  US06864273B1

文献信息

• 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.
• AMINOALKYL SUBSTITUTED (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES
  申请人：Janssen Pharmaceutica N.V.

  公开号：EP1187829B1

  公开（公告）日：2003-12-10
• 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。