N-bicyclo(2.2.1)hept-5-en-2-ylthiourea | 660817-37-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 英文名称: N-bicyclo(2.2.1)hept-5-en-2-ylthiourea
• 英文别名: N-bicyclo[2.2.1]hept-5-en-2-ylthiourea；2-bicyclo[2.2.1]hept-5-enylthiourea
• CAS: 660817-37-8
• 化学式: C₈H₁₂N₂S
• 分子量: 168.263
• InChiKey: LBGARRDHDRSGJO-UHFFFAOYSA-N

物化性质

• 沸点：
  282.6±43.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)
• 溶解度：
  >25.2 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-bicyclo(2.2.1)hept-5-en-2-ylthiourea 、 3-溴-2-吡咯啉酮 以 丙酮 为溶剂， 反应 8.0h， 生成 5-(2-aminoethyl)-2-(bicyclo[2.2.1]hept-5-en-2-ylamino)-1,3-thiazol-4(5H)-one
  参考文献：
  名称：

  [EN] THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS
  [FR] COMPOSES THIAZOLE UTILISES EN TANT QU'INHIBITEURS DE LA 11-BETA-HYDROXYSTEROIDE DESHYDROGENASE DE TYPE 1

  摘要：

  公开号：

  WO2005075471A3
• 作为产物：
  描述：

  5-异硫氰酸双环并[2.2.1]庚烯 在 乙醇 、 氨 作用下， 反应 18.0h， 以68%的产率得到N-bicyclo(2.2.1)hept-5-en-2-ylthiourea
  参考文献：
  名称：

  [EN] THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS
  [FR] COMPOSES THIAZOLE UTILISES EN TANT QU'INHIBITEURS DE LA 11-BETA-HYDROXYSTEROIDE DESHYDROGENASE DE TYPE 1

  摘要：

  公开号：

  WO2005075471A3

文献信息

• New compounds
  申请人：Barf Tjeerd

  公开号：US20050239853A1

  公开（公告）日：2005-10-27

  The present invention relates to compounds with the formula (I) wherein R 1 , R 2 , R 3 , X, and Y are as defined herein, and also to pharmaceutical compositions comprising the compounds, as well as to the use of the compounds in medicine and for the preparation of a medicament which acts on the human 11-hydroxysteroid dehydrogenase type 1 enzyme.

  本发明涉及具有式（I）的化合物，其中R1，R2，R3，X和Y的定义如本文所述，以及包含该化合物的药物组合物，以及在医学上使用该化合物以及用于制备作用于人类11-羟基类固醇脱氢酶1型酶的药物的方法。
• COMPOUNDS AND METHODS FOR THE TREATMENT OF UBIQUITIN CONJUGATING DISORDERS
  申请人：Hygeia Biological Systems

  公开号：EP1778011A2

  公开（公告）日：2007-05-02
• Compounds and methods for the treatment of ubiquitin conjugating disorders
  申请人：Banerjee Amit

  公开号：US20060035890A1

  公开（公告）日：2006-02-16

  The present invention provides methods for identifying compounds that selectively bind one or more active sites within an ubiquitin conjugating enzyme. The compounds identified by the methods are useful in the treatment of disorders attributed to dysregulated ubiquitin conjugating enzyme function, specifically in hyperproliferative disorders.
• Method for the treatment of a ubiquitin conjugating disorder
  申请人：Banerjee Amit

  公开号：US20070191488A1

  公开（公告）日：2007-08-16

  The present invention provides methods for identifying compounds that selectively bind one or more active sites within an ubiquitin conjugating enzyme. The compounds identified by the methods are useful in the treatment of disorders attributed to dysregulated ubiquitin conjugating enzyme function, specifically in hyperproliferative disorders.
• PROCESS FOR MAKING SUBSTITUTED 2-AMINO-THIAZOLONES
  申请人：Moniz George A.

  公开号：US20100280255A1

  公开（公告）日：2010-11-04

  The present invention relates to methods of making compounds that inhibit 11-hydroxysteroid dehydrogenase type 1 enzyme (11-HSD1). One method comprises (a) contacting a compound of formula (II) sequentially with a chiral base in the presence of an amine, and an alkylating agent R3-LG, (b) contacting the product of (a) with an acid to form a salt, and (c) reacting the salt with a base to form the compound of formula (I), wherein Z, R1, R2, and R3 are defined herein.