tert-butyl N-[4-[[4-[4-(2-amino-4-chloroanilino)piperidine-1-carbonyl]piperidin-1-yl]methyl]pyridin-2-yl]carbamate | 918535-45-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl N-[4-[[4-[4-(2-amino-4-chloroanilino)piperidine-1-carbonyl]piperidin-1-yl]methyl]pyridin-2-yl]carbamate
• CAS: 918535-45-2
• 化学式: C₂₈H₃₉ClN₆O₃
• 分子量: 543.109
• InChiKey: SOCBCROKSRDMES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[4-[[4-[4-(2-amino-4-chloroanilino)piperidine-1-carbonyl]piperidin-1-yl]methyl]pyridin-2-yl]carbamate 、 N-乙酰甘氨酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以97%的产率得到tert-butyl N-[4-[[4-[4-[2-[(2-acetamidoacetyl)amino]-4-chloroanilino]piperidine-1-carbonyl]piperidin-1-yl]methyl]pyridin-2-yl]carbamate
  参考文献：
  名称：

  WO2007/1975

  摘要：

  公开号：
• 作为产物：
  描述：

  C₂₈H₃₇ClN₆O₅ 在 Raney nickel 氢气 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以95%的产率得到tert-butyl N-[4-[[4-[4-(2-amino-4-chloroanilino)piperidine-1-carbonyl]piperidin-1-yl]methyl]pyridin-2-yl]carbamate
  参考文献：
  名称：

  WO2007/1975

  摘要：

  公开号：

文献信息

• Heteroatom-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists
  申请人：Aslanian G. Robert

  公开号：US20070015807A1

  公开（公告）日：2007-01-18

  Disclosed are novel compounds of the formula or a pharmaceutically acceptable salt thereof, wherein: M 1 and M 3 are CH or N; M 2 is CH, CF or N; Y is —C(═O)—, —C(═S)—, —(CH 2 ) q —, —C(═NOR 7 )— or —SO 1-2 —; Z is a bond or optionally substituted alkylene or alkenylene; R 1 is H, or alkyl, cycloalkyl, aryl, heteroaryl, heterocycloalkyl, all optionally substituted, or a group of the formula: where ring A is a heteroaryl ring; R 2 is optionally substituted alkyl, alkenyl, aryl, heteroaryl, cycloalkyl or heterocycloalkyl; R 3 is H, —C(O)NH 2 , or alkyl, aryl, cycloalkyl, heterocycloalkyl or heteroaryl, all optionally substituted; and the remaining variables are as defined in the specification; compositions and methods of treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders using said compounds, alone or in combination with other agents.
• HETEROATOM-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS
  申请人：Aslanian Robert G.

  公开号：US20090286830A1

  公开（公告）日：2009-11-19

  Disclosed are novel compounds of the formula or a pharmaceutically acceptable salt thereof, wherein: M 1 and M 3 are CH or N; M 2 is CH, CF or N; Y is —C(═O)—, —C(═S)—, —(CH 2 ) q —, —C(═NOR 7 )— or —SO 1-2 —; Z is a bond or optionally substituted alkylene or alkenylene; R 1 is H, or alkyl, cycloalkyl, aryl, heteroaryl, heterocycloalkyl, all optionally substituted, or a group of the formula: where ring A is a heteroaryl ring; R 2 is optionally substituted alkyl, alkenyl, aryl, heteroaryl, cycloalkyl or heterocycloalkyl; R 3 is H, —C(O)NH 2 , or alkyl, aryl, cycloalkyl, heterocycloalkyl or heteroaryl, all optionally substituted; and the remaining variables are as defined in the specification; compositions and methods of treating allergy-induced airway responses, congestion, obesity, metabolic syndrome, alcoholic fatty liver disease, hepatic steatosis, nonalcoholic steatohepatitis, cirrhosis, hepatacellular carcinoma and cognition deficit disorders using said compounds, alone or in combination with other agents.
• US7635705B2
  申请人：——

  公开号：US7635705B2

  公开（公告）日：2009-12-22
• US7846946B2
  申请人：——

  公开号：US7846946B2

  公开（公告）日：2010-12-07