tert-butyl 3-((4-(5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)-1-piperazinyl)carbonyl)-1-pyrrolidinecarboxylate | 856417-61-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: tert-butyl 3-((4-(5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)-1-piperazinyl)carbonyl)-1-pyrrolidinecarboxylate
• 英文别名: tert-butyl 3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate
• CAS: 856417-61-3
• 化学式: C₂₀H₃₀N₆O₄
• 分子量: 418.496
• InChiKey: WDCQWOYKAVKANE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  91.2
• 氢给体数：
  0
• 氢受体数：
  6

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