3-{3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridinyl-1-yl]-propyl}-6-methyl-1H-quinazoline-2,4-dione | 329789-96-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-{3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridinyl-1-yl]-propyl}-6-methyl-1H-quinazoline-2,4-dione
• 英文别名: 3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-methyl-1H-quinazoline-2,4-dione
• CAS: 329789-96-0
• 化学式: C₂₃H₂₄ClN₃O₂
• 分子量: 409.915
• InChiKey: BVKRTNVRKXQBLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-[4-(4-Chloro-phenyl)-3,6-dihyro-2H-pyridin-1-]-propylamine 、 三光气 、 2-氨基-5-甲基苯甲酸甲酯 生成 3-{3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridinyl-1-yl]-propyl}-6-1H-quinazoline-2,4-dione 、 3-{3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridinyl-1-yl]-propyl}-6-methyl-1H-quinazoline-2,4-dione
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Tetrahydroquinazoline-2,4-diones and therapeutic uses thereof
  申请人：Pfizer Inc.

  公开号：US20030109516A1

  公开（公告）日：2003-06-12

  The present invention relates to tetrahydroquinazoline-2,4-diones derivatives of the formula (I): 1 pharmaceutically acceptable salts thereof, wherein A is (CH 2 ) n where n is equal to 0, 1 or 2; U is CH 2 , NH, or NR 3 , R 1 and R 2 are selected independently from H, (C 1 -C 6 )alkyl, Cl, F, CN, nitro, CF 3 , —NHC(O)R 6 and —OR 7 , or R 1 and R 2 , together with the atoms to which they are attached, form a carbocyclic or heterocyclic five- or six-membered ring, R 3 is selected from the group consisting of H, (C 1 -C 6 ) m alkyl, C(═O)-(C 1 -C 6 )alkyl, where m=1 or 2; R 4 and R 5 are selected from H, (C 1 -C 6 )alkyl, Cl, F, —CF 3 , —CN, —NHC(═O)R 6 , —OR 7 , a 5-to 7-membered aryl or heteroaryl ring, where m, R 6 and R 7 are as defined above; and R 6 and R 7 are selected independently from H, (C 1 -C 6 )alkyl or a 5- to 7-membered aryl or heteroaryl ring; V is CH, CR 3 , or N; W is CH 2 , C(O), or S(O) 2 ; X is C or N; and Y is CH, CR 1 , CR 2 , or N. The invention also relates to pharmaceutical compositions containing the same and to methods of use thereof, including in the inhibition of serotonin reuptake, the inhibition of the binding of 5-HT 2A serotonin receptors and the treatment of diseases, conditions or disorders of the central nervous system. Further, the present invention is also directed to methods for the preparation of 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)-propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione compounds and intermediates useful therefor.

  本发明涉及式(I)的四氢喹唑啉-2,4-二酮衍生物及其药学上可接受的盐： 其中，A为(CH2)n，n等于0、1或2；U为CH2、NH或NR3，R1和R2独立选择自H、(C1-C6)烷基、Cl、F、CN、硝基、CF3、—NHC(O)R6和—OR7，或者R1和R2与它们所连接的原子一起形成碳环或杂环五元或六元环，R3选择自H、(C1-C6)烷基、C(═O)-(C1-C6)烷基，其中m=1或2；R4和R5选择自H、(C1-C6)烷基、Cl、F、—CF3、—CN、—NHC(═O)R6、—OR7、5-至7-成员芳基或杂芳基环，其中m、R6和R7如上所定义；R6和R7独立选择自H、(C1-C6)烷基或5-至7-成员芳基或杂芳基环；V为CH、CR3或N；W为CH2、C(O)或S(O)2；X为C或N；Y为CH、CR1、CR2或N。本发明还涉及含有上述化合物的制药组合物及其使用方法，包括抑制5-HT2A血清素受体的结合和中枢神经系统疾病、病症或障碍的治疗。此外，本发明还涉及制备4-(4-苯基-1,2,3,6-四氢吡啶-1-基)-丙基-1,2,3,4-四氢喹唑啉-2,4-二酮化合物及其有用中间体的方法。
• JP2001114778A
  申请人：——

  公开号：JP2001114778A

  公开（公告）日：2001-04-24
• US6521630B1
  申请人：——

  公开号：US6521630B1

  公开（公告）日：2003-02-18