tert-butyl ((3R)-1-{3-(2-chlorobenzyl)-5-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl}piperidin-3-yl)carbamate | 853068-59-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl ((3R)-1-{3-(2-chlorobenzyl)-5-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxo-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl}piperidin-3-yl)carbamate
• 英文别名: tert-butyl N-[(3R)-1-[3-[(2-chlorophenyl)methyl]-5-[2-(3-methoxyphenyl)-2-oxoethyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate
• CAS: 853068-59-4
• 化学式: C₃₂H₃₆ClN₅O₅
• 分子量: 606.121
• InChiKey: HATNJGLQVKKYEB-HSZRJFAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Novel condensed imidazole derivative
  申请人：Nakahira Hiroyuki

  公开号：US20070105890A1

  公开（公告）日：2007-05-10

  Disclosed is a compound represented by the formula (1) below which has a high DPP-IV inhibitory activity and is improved in safety, toxicity and the like. Also disclosed is a prodrug of such a compound and pharmaceutically acceptable salts of them. (In the formula, R 1 represents a hydrogen atom, an optionally substituted alkyl group or the like; R 2 and R 3 independently represent a hydrogen atom, an optionally substituted alkyl group or the like; R 4 and R 5 independently represent a hydrogen atom, an optionally substituted alkyl group or the like: R 6 represents a hydrogen atom, an optionally substituted aryl group or the like; and —Y—NH 2 , represents a group represented by the following formula (A): (wherein m is 0, 1 or 2; and R 7 may not exist or one or two R 7 may exist and independently represent an optionally substituted alkyl group or the like) or the like.]

  公开了一种化合物，其表示为以下式（1），具有较高的DPP-IV抑制活性并且在安全性、毒性等方面得到改善。还公开了这种化合物的前药和它们的药学上可接受的盐。（在该式中，R1表示氢原子，可选择性取代的烷基或类似物; R2和R3独立地表示氢原子，可选择性取代的烷基或类似物; R4和R5独立地表示氢原子，可选择性取代的烷基或类似物：R6表示氢原子，可选择性取代的芳基或类似物; 而—Y—NH2表示由以下式（A）表示的基团：（其中m为0、1或2；而R7可能不存在或一个或两个R7可能存在且独立地表示可选择性取代的烷基或类似物）或类似物。）