Methyl 4-amino-I+/-,I+/--dimethyl-I(2)-oxobenzenepropanoate | 1134541-69-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl 4-amino-I+/-,I+/--dimethyl-I(2)-oxobenzenepropanoate
• 英文别名: methyl 3-(4-aminophenyl)-2,2-dimethyl-3-oxopropanoate
• CAS: 1134541-69-7
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.256
• InChiKey: MQXWXQNSXYVJCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• HETEROCYCLIC DERIVATIVE HAVING INHIBITORY ACTIVITY ON TYPE-I 11 DATA-HYDROXYSTEROID DEHYDROGENASE
  申请人：Itai Akiko

  公开号：US20100234363A1

  公开（公告）日：2010-09-16

  Disclosed is a compound which is useful as an 11β-hydroxysteroid dehydrogenase type 1 inhibitor. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein X is O or S, a broken line and a wavy line represent the presence or the absence of a bond, (i) when a broken line represents the presence of a bond, a wavy line represents the absence of a bond, R 2 and R 3 are each independently hydrogen, halogen, cyano, hydroxy, carboxy, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like, (ii) when a broken line represents the absence of a bond, a wavy line represents the presence of a bond, R 1 and R 4 are each independently hydrogen, halogen or the like, R 2 and R 3 are each independently hydrogen, halogen, cyano, hydroxy, carboxy, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like, and R 5 and R 6 are each independently hydrogen, optionally substituted alkyl, optionally substituted alkenyl, optionally substituted alkynyl or the like.

  本发明涉及一种化合物，可用作11β-羟基类固醇脱氢酶1型抑制剂。化合物的表示式如下：其药学上可接受的盐或其溶剂化物，其中X为O或S，一条断线和一条波浪线分别表示键的存在或不存在，(i) 当断线表示键的存在时，波浪线表示键的不存在，R2和R3各自独立地表示氢、卤素、氰基、羟基、羧基、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物，(ii) 当断线表示键的不存在时，波浪线表示键的存在，R1和R4各自独立地表示氢、卤素或类似物，R2和R3各自独立地表示氢、卤素、氰基、羟基、羧基、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物，而R5和R6各自独立地表示氢、可选取代的烷基、可选取代的烯基、可选取代的炔基或类似物。