1-phenyl-1,2,3,4-tetrahydro-[2]naphthoic acid | 109554-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-phenyl-1,2,3,4-tetrahydro-[2]naphthoic acid
• 英文别名: 1-Phenyl-1.2.3.4-tetrahydro-naphthalin-carbonsaeure-(2)；1-Phenyl-1,2,3,4-tetrahydro-[2]naphthoesaeure；1-Phenyl-tetralin-carbonsaeure-(2)；1-Phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
• CAS: 109554-20-3
• 化学式: C₁₇H₁₆O₂
• 分子量: 252.313
• InChiKey: FPBPVLHKLNMULL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 作用下， 生成 1-phenyl-1,2,3,4-tetrahydro-[2]naphthoic acid
  参考文献：
  名称：

  Stoermer; Schenck, Chemische Berichte, 1928, vol. 61, p. 2318

  摘要：

  DOI：

文献信息

• [EN] AMINOMETHYLCARBOXYLIC ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDE AMINOMETHYLCARBOXYLIQUE
  申请人：AKZO NOBEL NV

  公开号：WO2000007978A1

  公开（公告）日：2000-02-17

  The present invention relates to aminomethylcarboxylic acid derivatives having general formula (I), wherein Z is (CH2)n, O, S, SO, SO2 or N-R5; n is 0, 1 or 2; X represents 1-3 substituents independently selected from hydrogen, halogen, (C1-6)alkyloxy, (C3-6)cycloalkyloxy, (C6-12)aryloxy, (C6-12)aryl, thienyl, SR6, SOR6, SO2R6, NR6R6, NHR6, NH2, NHCOR6, NSO2R6, CN, COOR6 and (C1-4)alkyl, optionally substituted with halogen, (C6-12)aryl, (C1-6)alkyloxy or (C6-12)aryloxy; or 2 substituents at adjacent positions together represent a fused (C5-6)aryl group, a fused (C5-6)cycloalkyl ring or O-(CH2)m-O; m is 1 or 2; Y represents 1-3 substituents independently selected from hydrogen, halogen, (C1-4)alkyloxy, SR6, NR6R6 and (C1-4)alkyl, optionally substituted with halogen; R1 is COOR7 or CONR8R9; R2 and R6 are (C1-4)alkyl; R3, R4 and R5 are independently hydrogen or (C1-4)alkyl; R7, R8 and R9 are independently hydrogen, (C1-4)alkyl, (C6-12)aryl or arylalkyl; or a pharmaceutically acceptable salt thereof. The invention also relates to pharmaceutical compositions comprising said derivatives, as well as to the use of these aminomethylcarboxylic acid derivatives in therapy, more specifically for the treatment of CNS disorders.

  本发明涉及具有通式（I）的氨甲基羧酸衍生物，其中Z为（CH2）n，O，S，SO，SO2或N-R5; n为0，1或2; X表示1-3个取代基，独立选择自氢，卤素，（C1-6）烷氧基，（C3-6）环烷氧基，（C6-12）芳氧基，（C6-12）芳基，噻吩基，SR6，SOR6，SO2R6，NR6R6，NHR6，NH2，NHCOR6，NSO2R6，CN，COOR6和（C1-4）烷基，可选地取代卤素，（C6-12）芳基，（C1-6）烷氧基或（C6-12）芳氧基;或相邻位置的2个取代基共同表示为融合的（C5-6）芳基基团，融合的（C5-6）环烷基环或O-（ ）m-O; m为1或2; Y表示1-3个取代基，独立选择自氢，卤素，（C1-4）烷氧基，SR6，NR6R6和（C1-4）烷基，可选地取代卤素; R1为COOR7或CONR8R9; R2和R6为（C1-4）烷基; R3，R4和R5独立地为氢或（C1-4）烷基; R7，R8和R9独立地为氢，（C1-4）烷基，（C6-12）芳基或芳基烷基;或其药学上可接受的盐。本发明还涉及包含所述衍生物的制药组合物，以及这些氨甲基羧酸衍生物在治疗中的应用，更具体地用于治疗中枢神经系统疾病。
• AMINOMETHYLCARBOXYLIC ACID DERIVATIVES
  申请人：Akzo Nobel N.V.

  公开号：EP1100769A1

  公开（公告）日：2001-05-23
• US6410592B1
  申请人：——

  公开号：US6410592B1

  公开（公告）日：2002-06-25