(+/-)-[1-[3-[[(3,4-dihydro-2H-1-benzopyran-2-yl)methyl]-amino]propyl]hexahydro-2-pyrimidinylidene]cyanamide ethanedioate | 227297-04-3

• 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]-amino]propyl]hexahydro-2-pyrimidinylidene]cyanamide ethanedioate
• 英文别名: [1-[3-(3,4-dihydro-2H-chromen-2-ylmethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide;oxalic acid
• CAS: 227297-04-3
• 化学式: C₂H₂O₄*C₁₈H₂₅N₅O
• 分子量: 417.465
• InChiKey: KEJVOXXJVQERHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.65
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  147
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties
  申请人：——

  公开号：US20030149093A1

  公开（公告）日：2003-08-07

  The present invention of compounds of formula (I) 1 a stereochemically isomeric form thereof, an N-oxide form thereof or a pharmaceutically acceptable acid addition salt thereof, wherein Alk 1 is C 1-6 alkanediyl optionally substituted with hydroxy, C 1-4 alkyloxy or C 1-4 alkylcarbonyloxy; —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; R 4 is hydrogen or C 1-6 alkyl; A is a bivalent radical of formula —NR 6 -Alk 2 -(b-1), or -Npiperidinyl-(CH 2 ) m (b-2) wherein m is 0 or 1; R 5 is a radical of formula 2 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.

  本发明涉及化合物的公式(I)、其立体化学异构体、氮氧化物形式或药学上可接受的酸盐，其中Alk1是C1-6烷基二亚甲基，可选地被羟基、C1-4烷氧基或C1-4烷基羰基氧基取代；—Z1—Z2—是二价基团；R1、R2和R3各自独立地选择为氢、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结合在一起可以形成一个二价基团；R4是氢或C1-6烷基；A是公式—NR6-Alk2-(b-1)或-N哌啶基-(CH2)m(b-2)的二价基团，其中m为0或1；R5是公式2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是二价基团。本发明还公开了制备上述产品的方法、包含上述产品的配方以及其作为药物治疗与受损的胃底松弛有关的疾病的用途。
• (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1036073B1

  公开（公告）日：2006-07-26
• US6852714B2
  申请人：——

  公开号：US6852714B2

  公开（公告）日：2005-02-08