tert-butyl 4-(1-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate | 701298-31-9

• 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 4-(1-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
• 英文别名: tert-butyl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
• CAS: 701298-31-9
• 化学式: C₁₄H₂₃N₃O₂
• 分子量: 265.356
• InChiKey: QPCDMMDMNSZEBU-UHFFFAOYSA-N

物化性质

• 沸点：
  410.5±38.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-(1-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate 在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 生成 4-1-methyl-1H-imidazol-2-yl-piperidine hydrochloride
  参考文献：
  名称：

  Discovery of Imidazo[1,5-c]imidazol-3-ones: Weakly Basic, Orally Active Factor Xa Inhibitors

  摘要：

  The coagulation enzyme factor Xa (FXa) has been recognized as a promising target for the development of new antithrombotic agents. We previously found compound I to be an orally bioavailable FXa inhibitor in fasted monkeys; however, I showed poor bioavailability in rats and fed monkeys. To work out the pharmacokinetic problems, we focused our synthetic efforts on the chemical conversion of the 4-(imidazo[1,2-a]pyridin-5-yl)piperazine moiety of 1 to imidazolylpiperidine derivatives (fused and nonfused), which resulted in the discovery of the weakly basic imidazo[1,5-c]imidazol-3-one 3q as a potent and selective FXa inhibitor. Compound 3q showed favorable oral bioavailability in rats and monkeys under both fasted and fed conditions and antithrombotic efficacy in a rat model of venous thrombosis after oral administration, without a significant increase in bleeding time (unlike warfarin). On the basis of these promising properties, compound 3q was selected for further evaluation.

  DOI：

  10.1021/jm701548u
• 作为产物：
  描述：

  tert-butyl 4-(1-methyl-1H-imidazol-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate 在 钯 氢气 、 钯 、 resultant residue 、 silica gel 、 正己烷 、 乙酸乙酯 作用下， 以 甲醇 为溶剂， 25.0 ℃ 、13.51 MPa 条件下， 反应 7.0h， 以EtOAc=80:20 to EtOAc only) to give tert-butyl 4-(1-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate (132 mg) as a colorless oil的产率得到tert-butyl 4-(1-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  Cyclic peptide compounds

  摘要：

  本发明涉及一种新的环肽化合物或其盐，其基于对丙型肝炎病毒复制体RNA复制抑制活性具有抗丙型肝炎病毒活性，以及其制备过程，包括该化合物的制药组合物和用于人类或动物的预防和/或治疗丙型肝炎的方法。

  公开号：

  US08603975B2

文献信息

• Imidazole derivative, process for producing the same, and use
  申请人：Kubo Keiji

  公开号：US20070004736A1

  公开（公告）日：2007-01-04

  There is provided an imidazole derivative useful as a thrombosis treating agent, which is represented by the formula (I): wherein R represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent linear hydrocarbon group, X represents an optionally substituted divalent hydrocarbon group, Y represents —CO—, —S(O)—, —S(O) 2 — or a bond, ring A represents an optionally substituted pyrrolidine ring, an optionally substituted piperidine ring or an optionally substituted perhydroazepine ring, Z 1 and Z 3 independently represent a bond or an optionally substituted divalent linear hydrocarbon group, Z 2 represents —N(R 1 )—, —O—, —S(O)—, —S(O) 2 —, —CO—, —CH(R 1 )— or a bond, ring B represents an optionally substituted imidazole ring, wherein a substituent which the optionally substituted imidazole ring represented by ring B may have may be taken together with R 1 to form an optionally substituted ring, and a represents 0, 1 or 2.

  提供了一种咪唑衍生物，用作治疗血栓的药物，其化学式表示为(I)式：其中R代表可选取代的环烃基或可选取代的杂环基，W代表键或可选取代的二价直链烃基，X代表可选取代的二价烃基，Y代表-CO-、-S(O)-、-S(O)2-或键，环A代表可选取代的吡咯烷环、可选取代的哌啶环或可选取代的过氢杂环己烷环，Z1和Z3独立地代表键或可选取代的二价直链烃基，Z2代表-N(R1)-、-O-、-S(O)-、-S(O)2-、-CO-、-CH(R1)-或键，环B代表可选取代的咪唑环，其中可选取代的咪唑环所具有的取代基可以与R1一起形成可选取代的环，a代表0、1或2。
• CYCLIC PEPTIDE COMPOUNDS
  申请人：Yamanaka Toshio

  公开号：US20100120672A1

  公开（公告）日：2010-05-13

  The present invention relates to a new cyclic peptide compound or a salt thereof, which has anti-hepatitis C virus activities based on inhibitory activity against the RNA replication of hepatitis C virus replicon, a process for preparation thereof, a pharmaceutical composition comprising the same, and a method for prophylactic and/or therapeutic treatment of hepatitis C in a human being or an animal.

  本发明涉及一种新的环肽化合物或其盐，其基于对丙型肝炎病毒复制体RNA复制的抑制活性具有抗丙型肝炎病毒活性，以及其制备方法，包含该化合物的制药组合物，以及用于预防和/或治疗人类或动物丙型肝炎的方法。
• IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE
  申请人：KUBO Keiji

  公开号：US20110009389A1

  公开（公告）日：2011-01-13

  There is provided an imidazole derivative useful as a thrombosis treating agent, which is represented by the formula (I): wherein R represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent linear hydrocarbon group, X represents an optionally substituted divalent hydrocarbon group, Y represents —CO—, —S(O)—, —S(O) 2 — or a bond, ring A represents an optionally substituted pyrrolidine ring, an optionally substituted piperidine ring or an optionally substituted perhydroazepine ring, Z 1 and Z 3 independently represent a bond or an optionally substituted divalent linear hydrocarbon group, Z 2 represents —N(R 1 )—, —O—, —S(O)—, —S(O) 2 —, —CO—, —CH(R 1 )— or a bond, ring B represents an optionally substituted imidazole ring, wherein a substituent which the optionally substituted imidazole ring represented by ring B may have may be taken together with R 1 to form an optionally substituted ring, and a represents 0, 1 or 2.

  提供了一种咪唑衍生物，可用作治疗血栓的药物，其化学式表示为（I）：其中R代表可选取代的环烃基或可选取代的杂环基，W代表键或可选取代的二价线性烃基，X代表可选取代的二价烃基，Y代表-CO-，-S（O）-，-S（O）2-或键，环A代表可选取代的吡咯烷环，可选取代的哌啶环或可选取代的过氢化脂肪环，Z1和Z3独立地代表键或可选取代的二价线性烃基，Z2代表-N（R1）-，-O-，-S（O）-，-S（O）2-，-CO-，-CH（R1）-或键，环B代表可选取代的咪唑环，其中可选取代的咪唑环所代表的取代基可以与R1一起形成可选取代的环，a代表0，1或2。
• IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1564213A1

  公开（公告）日：2005-08-17

  There is provided an imidazole derivative useful as a thrombosis treating agent, which is represented by the formula (I): wherein R represents an optionally substituted cyclic hydrocarbon group or an optionally substituted heterocyclic group, W represents a bond or an optionally substituted divalent linear hydrocarbon group, X represents an optionally substituted divalent hydrocarbon group, Y represents -CO-, -S(O)-, -S(O)2- or a bond, ring A represents an optionally substituted pyrrolidine ring, an optionally substituted piperidine ring or an optionally substituted perhydroazepine ring, Z1 and Z3 independently represent a bond or an optionally substituted divalent linear hydrocarbon group, Z2 represents -N(R1)-, -O-, - S(O)-, -S(O)2-, -CO-, -CH(R1)- or a bond, ring B represents an optionally substituted imidazole ring, wherein a substituent which the optionally substituted imidazole ring represented by ring B may have may be taken together with R1 to form an optionally substituted ring, and a represents 0, 1 or 2.

  提供了一种咪唑衍生物，可用作血栓治疗剂，其由式(I)表示： 其中 R 代表任选取代的环状烃基或任选取代的杂环基，W 代表键或任选取代的二价线性烃基，X 代表任选取代的二价烃基，Y 代表 -CO-、-S(O)-、-S(O)2- 或键，环 A 代表任选取代的吡咯烷环、任选取代的哌啶环或任选取代的全氢氮杂卓环、Z1 和 Z3 独立地代表键或任选取代的二价线性烃基，Z2 代表-N(R1)-、-O-、-S(O)-、-S(O)2-、-CO-、-CH(R1)- 或键，环 B 代表任选取代的咪唑环，其中环 B 所代表的任选取代的咪唑环可能具有的取代基可与 R1 一起形成任选取代的环，a 代表 0、1 或 2。
• New cyclic peptide compounds
  申请人：Astellas Pharma Inc.

  公开号：EP2455098A1

  公开（公告）日：2012-05-23

  The present invention relates to a new peptide compound or a salt thereof, which has anti-hepatits C virus activities based on inhibitory activity against the RNA replication of hepatitis C virus replicon, a process for preparation thereof, a pharmaceutical composition comprising the same, and a method for prophylactic and/or therapeutic treatment of hepatitis C in a human being or an animal.

  本发明涉及一种基于抑制丙型肝炎病毒复制子 RNA 复制而具有抗丙型肝炎病毒活性的新型多肽化合物或其盐、其制备方法、包含该化合物的药物组合物以及用于人类或动物丙型肝炎预防和/或治疗的方法。