tert-butyl 2-methoxy-2-methyl-1-((4-(5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)-1-piperidinyl)carbonyl)propylcarbamate | 856417-93-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl 2-methoxy-2-methyl-1-((4-(5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)-1-piperidinyl)carbonyl)propylcarbamate
• 英文别名: tert-butyl N-[3-methoxy-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
• CAS: 856417-93-1
• 化学式: C₂₂H₃₅N₅O₅
• 分子量: 449.55
• InChiKey: KLKGAJPZVNFLBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-methoxy-2-methyl-1-((4-(5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)-1-piperidinyl)carbonyl)propylcarbamate 、 对氯苯异氰酸酯 在 盐酸 、 三乙胺 作用下， 以 乙酸乙酯 、 乙腈 为溶剂， 反应 3.08h， 以71%的产率得到N-(4-chlorophenyl)-N'-(2-methoxy-2-methyl-1-((4-(5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)-1-piperidinyl)carbonyl)propyl)urea
  参考文献：
  名称：

  EP1695961

  摘要：

  公开号：
• 作为产物：
  描述：

  5-methyl-2-(4-piperidinyl)-1,2-dihydro-3H-imidazo[1,5-c]imidazol-3-one dihydrochloride 、 2-{[((叔丁氧基)羰基]氨基}-3-甲氧基-3-甲基丁酸 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 、 三乙胺 作用下， 以 乙腈 为溶剂， 反应 15.0h， 以96%的产率得到tert-butyl 2-methoxy-2-methyl-1-((4-(5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)-1-piperidinyl)carbonyl)propylcarbamate
  参考文献：
  名称：

  EP1695961

  摘要：

  公开号：

文献信息

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

  公开号：US20070093501A1

  公开（公告）日：2007-04-26

  The present invention provides a urea derivative or a salt thereof, which is useful as a therapeutic agent for thrombosis. The derivative is represented by Formula (I): wherein Cy is an aromatic hydrocarbon group which may be substituted or an aromatic heterocyclic group which may be substituted; R 1 is a hydrogen atom or a hydrocarbon group which may be substituted; V is —C(O)—, —S(O)—, or —S(O) 2 —; W is —N(R 2 )—, —O—, or a bond (wherein R 2 is a hydrogen atom or a hydrocarbon group which may be substituted); X is alkylene which may be substituted; Y is —C(O)—, —S(O)—, or —S(O) 2 —; Z is a bond, a chain hydrocarbon group which may be substituted, or —N═; ring A is a non-aromatic nitrogen-containing heterocyclic ring which may be substituted; ring B is a nitrogen-containing heterocyclic ring which may be substituted; and [Chemical formula 2] , are each independently a single bond or a double bond; provided that R 1 may be bonded to R 2 to form a non-aromatic nitrogen-containing heterocyclic ring and that R 2 may be bonded to a substituent of X to form a non-aromatic nitrogen-containing heterocyclic ring which may be substituted.

  本发明提供一种尿素衍生物或其盐，其作为治疗血栓症的治疗剂是有用的。该衍生物由公式（I）表示：其中，Cy是芳香族羟基烃基或芳香族杂环基，可以被取代；R1是氢原子或可以被取代的碳氢基团；V是-C（O）-，-S（O）-或-S（O）2-；W是-N（R2）-，-O-或键（其中R2是氢原子或可以被取代的碳氢基团）；X是可以被取代的烷基；Y是-C（O）-，-S（O）-或-S（O）2-；Z是键，可以被取代的链烃基团或-N═；环A是非芳香族含氮杂环环，可以被取代；环B是含氮杂环环，可以被取代；而[化学式2]都是单键或双键；但是，R1可以与R2连接形成非芳香族含氮杂环环，而R2可以与X的取代基连接形成可以被取代的非芳香族含氮杂环环。
• UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1695961A1

  公开（公告）日：2006-08-30

  The present invention provides a urea derivative or a salt thereof, which is useful as a therapeutic agent for thrombosis. The derivative is represented by Formula (I): [Chemical formula I] wherein Cy is an aromatic hydrocarbon group which may be substituted or an aromatic heterocyclic group which may be substituted; R1 is a hydrogen atom or a hydrocarbon group which may be substituted; V is -C(O)-, -S(O)-, or -S(O)2-; W is -N(R2)-, -O-, or a bond (wherein R2 is a hydrogen atom or a hydrocarbon group which may be substituted); X is alkylene which may be substituted; Y is -C(O)-, -S(O)-, or -S(O)2-; Z is a bond, a chain hydrocarbon group which may be substituted, or -N=; ring A is a non-aromatic nitrogen-containing heterocyclic ring which may be substituted; ring B is a nitrogen-containing heterocyclic ring which may be substituted; and [Chemical formula 2] ------‾ , ------̲ are each independently a single bond or a double bond; provided that R1 may be bonded to R2 to form a non-aromatic nitrogen-containing heterocyclic ring and that R2 may be bonded to a substituent of X to form a non-aromatic nitrogen-containing heterocyclic ring which may be substituted.

  本发明提供了一种脲衍生物或其盐，可用作血栓形成的治疗剂。该衍生物由式（I）表示： [化学式 I］ 其中 Cy 是可被取代的芳香烃基团或可被取代的芳香杂环基团；R1 是氢原子或可被取代的烃基团；V 是-C(O)-、-S(O)-或-S(O)2-；W 是-N(R2)-、-O-或键（其中 R2 是氢原子或可被取代的烃基团）；X是可被取代的亚烷基；Y是-C(O)-、-S(O)-或-S(O)2-；Z是键、可被取代的链烃基或-N=；环 A是可被取代的非芳香族含氮杂环；环 B是可被取代的含氮杂环；以及 [化学式 2］ ------‾ , ------̲ 各自独立地为单键或双键；但 R1 可与 R2 键合形成非芳香族含氮杂环，R2 可与 X 的取代基键合形成可被取代的非芳香族含氮杂环。
• US7820673B2
  申请人：——

  公开号：US7820673B2

  公开（公告）日：2010-10-26
• EP1695961
  申请人：——

  公开号：——

  公开（公告）日：——