1-(4-bromobenzyl)-3-(oxazol-5-ylmethyl)imidazolidine-2,4-dione | 1228660-53-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 1-(4-bromobenzyl)-3-(oxazol-5-ylmethyl)imidazolidine-2,4-dione
• 英文别名: 1-[(4-Bromophenyl)methyl]-3-(1,3-oxazol-5-ylmethyl)imidazolidine-2,4-dione
• CAS: 1228660-53-4
• 化学式: C₁₄H₁₂BrN₃O₃
• 分子量: 350.172
• InChiKey: PFLZANRSHQWODU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  66.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES
  申请人：van der Stelt Marcelis

  公开号：US20100144724A1

  公开（公告）日：2010-06-10

  The invention relates to 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivative having the general Formula I wherein R 1 is H, (C 1-6 )alkyl (optionally substituted with oxo, (C 1-3 )alkyloxy, (C 1-3 )alkyloxycarbonyl, halogen or CN), (C 3-6 )cycloalkyl or (C 3-6 )cycloalkyl(C 1-3 )alkyl, each cycloalkyl ring optionally comprising a heteroatom selected from O and S; R 2 and R 3 are independently H or (C 1-3 )alkyl; or R 2 and R 3 form together with the carbon atom to which they are bound a (C 3-5 )cycloalkyl group; R 4 is H or 1 to 3 F substituents; R 5 is H or 1 to 4 F substituents; R 6 and R 7 are independently H or F; X represents R 8 , OR 8 , NR 8 R 9 , R 8 is (C 5-7 )cycloalkyl optionally comprising a heteroatom selected from O, S, SO and SO 2 ; R 9 is H or (C 1-4 )alkyl; R 10 represents 1-3 substituents independently selected from H, (C 1-3 )alkyl, halogen, oxo, CN and CF 3 ; Y is CF 2 , O, S, SO or SO 2 ; or a pharmaceutically acceptable salt thereof, to pharmaceutical compositions comprising the same, as well as to the use of said 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives in the treatment of pain such as for example peri-operative pain, chronic pain, neuropathic pain, cancer pain and pain and spasticity associated with multiple sclerosis.

  该发明涉及具有一般式I的1-(4-(吡啶-2-基)苄基)咪唑啉二酮衍生物，其中R1为H，(C1-6)烷基（可选择地取代为氧代、(C1-3)烷氧基、(C1-3)烷氧羰基、卤素或CN），(C3-6)环烷基或(C3-6)环烷基(C1-3)烷基，每个环烷基环可选择包含从O和S中选择的杂原子; R2和R3分别为H或(C1-3)烷基; 或R2和R3与它们连接的碳原子一起形成(C3-5)环烷基基团; R4为H或1至3个F取代基; R5为H或1至4个F取代基; R6和R7分别为H或F; X代表R8，OR8，NR8R9，R8为(C5-7)环烷基，可选择包含从O、S、SO和SO2中选择的杂原子; R9为H或(C1-4)烷基; R10代表1-3个取代基，独立选择自H、(C1-3)烷基、卤素、氧代、CN和CF3; Y为CF2、O、S、SO或SO2;或其药学上可接受的盐，以及包含该类化合物的药物组合物，以及所述1-(4-(吡啶-2-基)苄基)咪唑啉二酮衍生物在治疗疼痛中的用途，例如围手术期疼痛、慢性疼痛、神经性疼痛、癌症疼痛以及与多发性硬化相关的疼痛和痉挛。
• US8143246B2
  申请人：——

  公开号：US8143246B2

  公开（公告）日：2012-03-27
• [EN] 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES<br/>[FR] DÉRIVÉS DE 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE
  申请人：ORGANON NV

  公开号：WO2010063666A1

  公开（公告）日：2010-06-10

  The invention relates to 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivative having the general Formula (I) wherein R1 is H, (C1-6)alkyl (optionally substituted with oxo, (C1-3)alkyloxy, (C1-3)-alkyl- oxycarbonyl, halogen or CN), (C3-6)cycloalkyl or (C3-6)cycloalkyl(C1-3)alkyl, each cycloalkyl ring optionally comprising a heteroatom selected from O and S; R2 and R3 are independently H or (C1-3)alkyl; or R2 and R3 form together with the carbon atom to which they are bound a (C3-5)cycloalkyl group; R4 is H or 1 to 3 F substituents; R5 is H or 1 to 4 F substituents; R6 and R7 are independently H or F; X represents R8, OR8, NR8R9, Formulae (Ia) or (Ib); R8 is (C5-7)cycloalkyl optionally comprising a heteroatom selected from O, S, SO and SO2; R9 is H or (C1-4)alkyl; R10 represents 1-3 substituents independently selected from H, (C1-3)alkyl, halogen, oxo, CN and CF3; Y is CF2, O, S, SO or SO2; or a pharmaceutically acceptable salt thereof, to pharmaceutical compositions comprising the same, as well as to the use of said 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives in the treatment of pain such as for example peri-operative pain, chronic pain, neuropathic pain, cancer pain and pain and spasticity associated with multiple sclerosis.