3-[(4-hydroxyphenoxy)methyl]-N-(4-methylphenyl)azetidine-1-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(4-hydroxyphenoxy)methyl]-N-(4-methylphenyl)azetidine-1-carboxamide
• 化学式: C₁₈H₂₀N₂O₃
• 分子量: 312.4
• InChiKey: XHGLHTSXNXJRKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  61.8
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Compounds for the Treatment of Neurological Disorders
  申请人：Babu Ruppa Poornachary Kamalesh

  公开号：US20140148432A1

  公开（公告）日：2014-05-29

  Provided are compounds, pharmaceutical compositions and methods of treatment or prophylaxis of certain neurologic disorders, including disorders related to NMDA receptor activation, including neuropsychiatric disorders, neurodegenerative diorders and other neurologic diseases, disorders and conditions including stroke, brain injury, epilepsy, neuropsychiatric disorders, mood disorders, chronic pain and related conditions. The compounds are of the general Formula I, or a pharmaceutically acceptable salt, ester, prodrug or derivative thereof are provided: wherein Ar 1 and Ar 2 are independently substituted or unsubstituted aryl, heteroaryl or heterocycle; m, n, p and q are each independently 0, 1 or 2; A is a bond, CH 2 , CH═CH, C≡C, NR, O or S; Each R 3 is independently selected from C 1 -C 6 alkyl, C 3 -C 6 cycloalkyl, C 1 -C 6 haloalkyl, OH, O-alkyl, O-aryl, SH, S-alkyl, fluoro, chloro, bromo, iodo, nitro, or cyano; Q is selected from CH 2 , CHR, CR 2 , NH, NR, O and S; Each Y is independently CR 2 or CR 2 CR 2 ; each R is independently selected from H, OH or alkyl, in particular C 1-4 alkyl; X is O, S, or CH 2 ; and Z is OH, NR 6 R 7 , NR 8 SO 2 (C 1 -C 6 alkyl), NR 8 C(O)NR 6 R 7 , NR 8 C(S)NR 6 R 7 , NR 8 CHO, NR 8 C(O)(C 1 -C 6 alkyl), NR 8 C(O)O(C 1 -C 6 alkyl), NR 8 -dihydrothiazole, or NR 8 -dihydroimidazole wherein each R 6 , R 7 and R 8 is independently H, C 1 -C 6 alkyl or C 6 -C 12 aralkyl; or Z comes together with Ar 2 together to form a substituted or unsubstituted heterocyclic ring system with Ar 2 .

  提供了化合物、药物组合物和治疗或预防某些神经系统疾病的方法，包括与NMDA受体激活有关的疾病，包括神经精神疾病、神经退行性疾病和其他神经系统疾病、疾病和病况，包括中风、脑损伤、癫痫、神经精神疾病、情感障碍、慢性疼痛和相关病况。提供了通式I的化合物或其药学上可接受的盐、酯、前药或衍生物：其中Ar1和Ar2分别是取代或未取代的芳基、杂芳基或杂环；m、n、p和q各自独立地为0、1或2；A是键、CH2、CH═CH、C≡C、NR、O或S；每个R3独立地选自C1-C6烷基、C3-C6环烷基、C1-C6卤代烷基、OH、O-烷基、O-芳基、SH、S-烷基、氟、氯、溴、碘、硝基或氰基；Q选自CH2、CHR、CR2、NH、NR、O和S；每个Y独立地是CR2或CR2CR2；每个R独立地选自H、OH或烷基，特别是C1-4烷基；X是O、S或CH2；以及Z是OH、NR6R7、NR8SO2（C1-C6烷基）、NR8C（O）NR6R7、NR8C（S）NR6R7、NR8CHO、NR8C（O）（C1-C6烷基）、NR8C（O）O（C1-C6烷基）、NR8-二氢噻唑或NR8-二氢咪唑，其中每个R6、R7和R8各自独立地为H、C1-C6烷基或C6-C12芳基烷基；或Z与Ar2一起形成取代或未取代的杂环环系。