1-[3-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]propyl]-1,3-diazinan-2-one;(2R,3R)-2,3-dihydroxybutanedioic acid

• 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-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]propyl]-1,3-diazinan-2-one;(2R,3R)-2,3-dihydroxybutanedioic acid
• 化学式: C21H31N3O8
• 分子量: 453.5
• InChiKey: DYCJDYCGRVTLKJ-KBYGAXRISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.35
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  169
• 氢给体数：
  6
• 氢受体数：
  9

文献信息

• [EN] (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES<br/>[FR] DERIVES (DE BENZODIOXANE, DE BENZOFURANE OU DE BENZOPYRANE) POSSEDANT DES PROPRIETES DE RELACHEMENT FUNDIQUE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO1999029687A1

  公开（公告）日：1999-06-17

  The present invention of compounds of formula (I), a stereochemically isomeric form thereof, an N-oxide form thereof or a pharmaceutically acceptable acid addition salt thereof, wherein Alk1 is C¿1-6?alkanediyl optionally substituted with hydroxy, C1-4alkyloxy or C1-4alkylcarbonyloxy; -Z?1-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; R4 is hydrogen or C¿1-6?alkyl; A is a bivalent radical of formula -NR?6-Alk2¿-(b-1), or -Npiperidinyl-(CH¿2?)m(b-2) wherein m is 0 or 1; R?5¿ is a radical of formula (A), 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, C3-6cycloalkyl, 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.

  本发明涉及化合物的公式（I），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成盐，其中Alk1是C1-6烷基二亚基，可选地取代羟基，C1-4烷氧基或C1-4烷基羰氧基; -Z1-Z2-是双价基团; R1，R2和R3分别独立地选自氢，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结合在一起可以形成一个双价基团; 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)的双价基团，其中m为0或1; R5是公式（A）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。本发明还公开了制备所述产品的方法，包含所述产品的制剂以及它们作为药物的用途，特别是用于治疗与胃底松弛障碍有关的疾病。
• (Benzodioxan, benzofuran or benzopyran) derivatives having fundic relaxation properties
  申请人：——

  公开号：US20030083365A1

  公开（公告）日：2003-05-01

  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.

  本发明涉及以下化合物的配方(I)1a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成盐，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烷基羧酸酯取代；-Z1-Z2-是双价基团；R1、R2和R3各自独立地选自氢、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可以一起形成一个双价基团；R4是氢或C1-6烷基；A是式—NR6—Alk2-(b-1)或—N哌啶基-(CH2)m(b-2)的双价基团，其中m为0或1；R5是式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、苯基或苯基甲基；R8是C1-6烷基、C3-6环烷基、苯基或苯基甲基；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。本发明还公开了制备所述产品的方法、包含所述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障碍有关的疾病。
• (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN) DERIVATIVES HAVING FUNDIC RELAXATION PROPERTIES
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1036073A1

  公开（公告）日：2000-09-20
• US6133277A
  申请人：——

  公开号：US6133277A

  公开（公告）日：2000-10-17
• US6495547B1
  申请人：——

  公开号：US6495547B1

  公开（公告）日：2002-12-17