(+/-)-1-[3-[[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl](phenylmethyl)amino]-2-hydroxypropyl]tetrahydro-2(1H)pyrimidinone | 312933-45-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (+/-)-1-[3-[[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl](phenylmethyl)amino]-2-hydroxypropyl]tetrahydro-2(1H)pyrimidinone
• 英文别名: 1-[3-[benzyl(3,4-dihydro-2H-chromen-2-ylmethyl)amino]-2-hydroxypropyl]-1,3-diazinan-2-one
• CAS: 312933-45-2
• 化学式: C₂₄H₃₁N₃O₃
• 分子量: 409.528
• InChiKey: WZBWBFVKGWDNRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  65
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  chromane-2-carbaldehyde 、 tetrahydra-1-[2-hydroxy-3-[(phenylmethyl)amino]propyl]-2(1H)pyrimidinone 在 噻吩 、 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 以62%的产率得到(+/-)-1-[3-[[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl](phenylmethyl)amino]-2-hydroxypropyl]tetrahydro-2(1H)pyrimidinone
  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
• 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