1-(3-isocyano-propyl)-pyrrolidin-2-one | 1000698-79-2

• 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: 1-(3-isocyano-propyl)-pyrrolidin-2-one
• 英文别名: 1-(3-Isocyanopropyl)-2-pyrrolidinone；1-(3-isocyanopropyl)pyrrolidin-2-one
• CAS: 1000698-79-2
• 化学式: C₈H₁₂N₂O
• mdl: MFCD06200493
• 分子量: 152.196
• InChiKey: WJSKUGILKGOSGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  potassium cyanate 、 胡椒醛 、 1-(3-isocyano-propyl)-pyrrolidin-2-one 、 5-氨基苯并咪唑 在 吡啶盐酸盐 作用下， 以 甲醇 为溶剂， 反应 50.0h， 生成 (E)-5-benzo[1,3]dioxol-5-yl-1-(1H-benzoimidazol-5-yl)-4-(3-(2-oxo-pyrrolidin-1-yl)-propylimino)-imidazolidin-2-one
  参考文献：
  名称：

  WO2008/55947

  摘要：

  公开号：

文献信息

• Novel Inhibitors of Glutaminyl Cyclase
  申请人：Thormann Michael

  公开号：US20080221086A1

  公开（公告）日：2008-09-11

  The present invention relates to compounds of formula (I), combinations and uses thereof for disease therapy, or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein R 1 represents heteroaryl; -carbocyclyl-heteroaryl; -alkenylheteroaryl or -alkylheteroaryl; R 2 represents alkyl which may optionally be substituted by hydroxy; carbocyclyl, which may optionally be substituted by one or more groups selected from alkyl and hydroxy; aryl; -aryl-heteroaryl; -heteroaryl-aryl; -aryl-heterocyclyl; H; heteroaryl; or heterocyclyl, which may optionally be substituted by one or more groups selected from alkyl oxo and hydroxy; R 3 represents alkyl which may optionally be substituted by one of more groups selected from alkoxy, amine, hydroxy and —C(O)Oalkyl; carbocyclyl, which may optionally be substituted by one or more groups selected from alkyl haloalkyl, alkoxy, amine, hydroxy and —C(O)Oalkyl; -alkyl-aryl; -alkyl(aryl) 2 ; -alkyl-heteroaryl; -alkyl(heteroaryl) 2 ; -alkyl(heteroaryl)(aryl); -aryl-O-aryl; aryl; heterocyclyl, -alkyl-C(O)-heterocyclyl, -alkyl-heterocyclyl, -alkyl-C(O)—NR 5 -heterocyclyl or -alkyl(heterocyclyl) 2 in any of which groups heterocyclyl may be optionally substituted by one or more groups selected from alkyl hydroxy and oxo; -heteroaryl; or -hydroxyalkylaryl; R 4 represents H or C 1-3 alkyl; R 5 represents H or C 1-3 alkyl; and X represents O or S.

  本发明涉及式（I）的化合物，其组合物和用于疾病治疗的用途，或其药学上可接受的盐，溶剂或多晶形式，包括其所有互变异构体和立体异构体，其中R1表示杂环芳基；-碳环芳基-杂环芳基；-烯基杂环芳基或-烷基杂环芳基；R2表示烷基，其可以选择性地被羟基取代；碳环芳基，其可以选择性地被一种或多种从烷基和羟基中选择的基团取代；芳基；-芳基-杂环芳基；-杂环芳基-芳基；-芳基-杂环环基；H；杂环芳基；或杂环环基，其可以选择性地被一种或多种从烷基氧化物和羟基中选择的基团取代；R3表示烷基，其可以选择性地被一种或多种从烷氧基，胺基，羟基和-C（O）O烷基中选择的基团取代；碳环芳基，其可以选择性地被一种或多种从烷基卤代烷基，烷氧基，胺基，羟基和-C（O）O烷基中选择的基团取代；-烷基-芳基；-烷基（芳基）2；-烷基-杂环芳基；-烷基（杂环芳基）2；-烷基（杂环芳基）（芳基）；-芳基-O-芳基；芳基；杂环环基，-烷基-C（O）-杂环环基，-烷基-杂环环基，-烷基-C（O）-NR5-杂环环基或-烷基（杂环环基）2，在其中杂环环基可以选择性地被一种或多种从烷基，羟基和氧化物中选择的基团取代；-杂环芳基；或-羟基烷基芳基；R4表示H或C1-3烷基；R5表示H或C1-3烷基；且X表示O或S。
• Novel benzimidazole derivatives
  申请人：Benson Martin Gregory

  公开号：US20080021027A1

  公开（公告）日：2008-01-24

  The invention is concerned with novel benzimidazole derivatives of formula (I) wherein R 1 to R 8 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds bind to Farnesoid-X-receptors (FXR) and can be used to treat diseases which are modulated by FXR agonists such as diabetes and dyslipidemia.

  这项发明涉及公式（I）的新型苯并咪唑衍生物，其中R1至R8如描述和权利要求中所定义，以及其生理上可接受的盐和酯。这些化合物与法尼索酮-X-受体（FXR）结合，并可用于治疗由FXR激动剂调节的疾病，例如糖尿病和血脂异常。
• Inhibitors of glutaminyl cyclase
  申请人：Thormann Michael

  公开号：US08420684B2

  公开（公告）日：2013-04-16

  The present invention relates to compounds of formula (I), combinations and uses thereof for disease therapy, or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein R1 represents heteroaryl; -carbocyclyl-heteroaryl; -alkenylheteroaryl or -alkylheteroaryl; R2 represents alkyl which may optionally be substituted by hydroxy; carbocyclyl, which may optionally be substituted by one or more groups selected from alkyl and hydroxy; aryl; -aryl-heteroaryl; -heteroaryl-aryl; -aryl-heterocyclyl; H; heteroaryl; or heterocyclyl, which may optionally be substituted by one or more groups selected from alkyl oxo and hydroxy; R3 represents alkyl which may optionally be substituted by one of more groups selected from alkoxy, amine, hydroxy and —C(O)Oalkyl; carbocyclyl, which may optionally be substituted by one or more groups selected from alkyl haloalkyl, alkoxy, amine, hydroxy and —C(O)Oalkyl; -alkyl-aryl; -alkyl(aryl)2; -alkyl-heteroaryl; -alkyl(heteroaryl)2; -alkyl(heteroaryl)(aryl); -aryl-O-aryl; aryl; heterocyclyl, -alkyl-C(O)-heterocyclyl, -alkyl-heterocyclyl, -alkyl-C(O)—NR5-heterocyclyl or -alkyl(heterocyclyl)2 in any of which groups heterocyclyl may be optionally substituted by one or more groups selected from alkyl hydroxy and oxo; -heteroaryl; or -hydroxyalkylaryl; R4 represents H or C1-3 alkyl; R5 represents H or C1-3 alkyl; and X represents O or S.

  本发明涉及式（I）的化合物，其组合物和用途用于疾病治疗，或其药学上可接受的盐，溶剂或多形体，包括其所有互变异构体和立体异构体，其中R1代表杂环芳基；-碳环芳基-杂环芳基；-烯基杂环芳基或-烷基杂环芳基；R2代表烷基，可以选择性地被羟基取代；碳环芳基，可以选择性地被一个或多个从烷基和羟基中选择的基团取代；芳基；-芳基-杂环芳基；-杂环芳基-芳基；-芳基-杂环芳基；H；杂环芳基；或杂环芳基，可以选择性地被一个或多个从烷基氧代基和羟基中选择的基团取代；R3代表烷基，可以选择性地被一个或多个从烷氧基，胺，羟基和—C（O）O烷基中选择的基团取代；碳环芳基，可以选择性地被一个或多个从烷基卤代烷基，烷氧基，胺，羟基和—C（O）O烷基中选择的基团取代；-烷基-芳基；-烷基（芳基）2；-烷基-杂环芳基；-烷基（杂环芳基）2；-烷基（杂环芳基）（芳基）；-芳基-O-芳基；芳基；杂环芳基，-烷基-C（O）-杂环芳基，-烷基-杂环芳基，-烷基-C（O）-NR5-杂环芳基或-烷基（杂环芳基）2，其中杂环芳基在任何这些基团中可以选择性地被一个或多个从烷基羟基和氧代基中选择的基团取代；-杂环芳基；或-羟基烷基芳基；R4代表氢或C1-3烷基；R5代表氢或C1-3烷基；且X代表氧或硫。
• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME
  申请人：F.HOFFMANN-LA ROCHE AG

  公开号：EP2038259A1

  公开（公告）日：2009-03-25