1-(1,3-benzothiazol-5-yl)ethanamine hydrochloride | 916162-91-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1-(1,3-benzothiazol-5-yl)ethanamine hydrochloride
• 英文别名: 1-(Benzo[d]thiazol-5-yl)ethanamine hydrochloride；1-(1,3-benzothiazol-5-yl)ethanamine;hydrochloride
• CAS: 916162-91-9
• 化学式: C₉H₁₀N₂S*ClH
• 分子量: 214.719
• InChiKey: FVHVRKNBSYUPTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.74
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Substituted Aryloxymethyl Bicyclicmethyl Acetamide Compounds
  申请人：Inoue Tadashi

  公开号：US20060270682A1

  公开（公告）日：2006-11-30

  This invention provides a compound of the formula (I): wherein A=B=D represents NR 10 —C(O)—NR 9 , S—C(O)—NR 9 , NR 9 —C(O)—S, NR 9 —C(O)—O, CR 10 —C(O)—NR 9 , O—C(O)—NR 9 , NR 10 —C(O)—CR 9 , NR 10 —NR 9 —C(O), C(O)—NR 9 —NR 10 , NR 10 —N═CR 9 , N═N—CR 9 , NR 10 —CR 9 ═N, N═CR 9 —NR 10 , NR 10 —N═N, N═N—NR 10 , S—CR 9 ═N or N═CR 9 —S; X 1 represents CR 1 or N; X 2 and X 3 each independently represents CR 8 or N; R 1 , R 6 , R 8 , R 9 and R 10 each independently represents hydrogen, halogen, hydroxy, (C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy, hydroxy(C 1 -C 6 )alkoxy, (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkoxy, halo(C 1 -C 6 )alkyl, (C 1 -C 6 )alkylthio, (C 1 -C 6 )alkylsulfinyl or (C 1 -C 6 )alkylsulfonyl; R 2 , R 3 , R 4 , and R 5 each independently represents hydrogen, (C 1 -C 6 )alkyl, halogen, halo(C 1 -C 6 )alkyl, or hydroxy(C 1 -C 6 )alkyl; and R 7 represents halogen, (C 1 -C 6 )alkyl, halo(C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy, hydroxy(C 1 -C 6 )alkoxy, (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkoxy, [(C 1 -C 6 )alkyl]NH— or [(C 1 -C 6 )alkyl] 2 N—; or a pharmaceutically acceptable salt thereof, provided that: (i) when A=B=D represents NR 10 —N═N or N═N—NR 10 , then R 2 represents (C 1 -C 6 )alkyl, halogen, halo(C 1 -C 6 )alkyl or hydroxy(C 1 -C 6 )alkyl; or (ii) when A=B=D represents NR 10 —N═N or N═N—NR 10 , and R 2 represents (C 1 -C 6 )alkyl, then R 7 represents halogen, (C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy, hydroxy(C 1 -C 6 )alkoxy, (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkyl, (C 1 -C 6 )alkoxy-(C 1 -C 6 )alkoxy, [(C 1 -C 6 )alkyl]NH— or [(C 1 -C 6 )alkyl] 2 N—. These compounds are useful for the treatment of disease conditions caused by overactivation of VR1 receptor such of pain, or the like in mammalian. This invention also provides a pharmaceutical composition comprising the above compound.

  本发明提供了式（I）的化合物：其中A = B = D表示NR10-C（O）-NR9，S-C（O）-NR9，NR9-C（O）-S，NR9-C（O）-O，CR10-C（O）-NR9，O-C（O）-NR9，NR10-C（O）-CR9，NR10-NR9-C（O），C（O）-NR9-NR10，NR10-N═CR9，N═N-CR9，NR10-CR9═N，N═CR9-NR10，NR10-N═N，N═N-NR10，S-CR9═N或N═CR9-S; X1表示CR1或N; X2和X3分别独立地表示CR8或N; R1，R6，R8，R9和R10分别独立地表示氢，卤素，羟基，（C1-C6）烷基，（C1-C6）烷氧基，羟基（C1-C6）烷氧基，（C1-C6）烷氧基-（C1-C6）烷基，（C1-C6）烷氧基-（C1-C6）烷氧基，卤代（C1-C6）烷基，（C1-C6）烷基硫醇，（C1-C6）烷基亚砜基或（C1-C6）烷基磺酰基; R2，R3，R4和R5分别表示氢，（C1-C6）烷基，卤素，卤代（C1-C6）烷基或羟基（C1-C6）烷基; R7表示卤素，（C1-C6）烷基，卤代（C1-C6）烷基，（C1-C6）烷氧基，羟基（C1-C6）烷氧基，（C1-C6）烷氧基-（C1-C6）烷基，（C1-C6）烷氧基-（C1-C6）烷氧基，[(C1-C6)烷基]NH-或[(C1-C6)烷基]2N-;或其药学上可接受的盐，前提是：（i）当A = B = D表示NR10-N═N或N═N-NR10时，R2表示（C1-C6）烷基，卤素，卤代（C1-C6）烷基或羟基（C1-C6）烷基;或（ii）当A = B = D表示NR10-N═N或N═N-NR10，并且R2表示（C1-C6）烷基时，R7表示卤素，（C1-C6）烷基，（C1-C6）烷氧基，羟基（C1-C6）烷氧基，（C1-C6）烷氧基-（C1-C6）烷基，（C1-C6）烷氧基-（C1-C6）烷氧基，[(C1-C6)烷基]NH-或[(C1-C6)烷基]2N-。这些化合物对于治疗哺乳动物中由VR1受体过度激活引起的疾病状况，例如疼痛等，具有用途。本发明还提供了包含上述化合物的制药组合物。
• US7514457B2
  申请人：——

  公开号：US7514457B2

  公开（公告）日：2009-04-07