3-fluoro-N-hydroxy-4-methylsulfanyl-benzamidine | 918967-49-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-fluoro-N-hydroxy-4-methylsulfanyl-benzamidine
• 英文别名: 3-fluoro-N'-hydroxy-4-methylsulfanylbenzenecarboximidamide
• CAS: 918967-49-4
• 化学式: C₈H₉FN₂OS
• 分子量: 200.237
• InChiKey: PQFJVNYIOHAUSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-fluoro-N-hydroxy-4-methylsulfanyl-benzamidine 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 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 4.25h， 生成 4-{1-[3-(3-fluoro-4-methylsulfanylphenyl)-[1,2,4]oxadiazol-5-yl]propoxy}-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  WO2007/116229

  摘要：

  公开号：

文献信息

• [EN] BRIDGED BICYCLIC PIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS DE PIPÉRIDINE BICYCLIQUES PONTÉS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：SCHERING CORP

  公开号：WO2011053688A1

  公开（公告）日：2011-05-05

  The present invention relates to Bridged Bicyclic Piperidine Derivatives, compositions comprising a Bridged Bicyclic Piperidine Derivative, and methods of using the Bridged Bicyclic Piperidine Derivatives for treating or preventing obesity, diabetes, a metabolic disorder, a cardiovascular disease or a disorder related to the activity of GPR119 in a patient.

  本发明涉及桥环双环哌啶衍生物，包括桥环双环哌啶衍生物的组合物，以及使用桥环双环哌啶衍生物治疗或预防患者的肥胖、糖尿病、代谢紊乱、心血管疾病或与GPR119活性相关的疾病的方法。
• Heterocyclic GPCR Agonists
  申请人：Bertram Lisa Sarah

  公开号：US20090221639A1

  公开（公告）日：2009-09-03

  Compounds of formula (I) or pharmaceutically acceptable salts thereof, are agonists of GPR119 and are useful as regulators of satiety, e.g. for the treatment of obesity, and for the treatment of diabetes.

  公式（I）化合物或其药学上可接受的盐是GPR119的激动剂，可用作饱腹感调节剂，例如用于肥胖症的治疗和糖尿病的治疗。
• GPCR Agonists
  申请人：Edward Stuart

  公开号：US20090325924A1

  公开（公告）日：2009-12-31

  Compounds of formula (I): or pharmaceutically acceptable salts thereof, are GPCR agonists and are useful as for the treatment of obesity and diabetes.

  化合物式(I)或其药学上可接受的盐是GPCR激动剂，可用于治疗肥胖症和糖尿病。
• Lead generation and optimization of novel GPR119 agonists with a spirocyclic cyclohexane structure
  作者：Kazuhito Harada、Jun Mizukami、Takashi Watanabe、Genki Mori、Minoru Ubukata、Katsunori Suwa、Sumiaki Fukuda、Tamotsu Negoro、Motohide Sato、Takashi Inaba

  DOI：10.1016/j.bmcl.2018.12.041

  日期：2019.2

  We describe here the generation of a lead compound and its optimization studies that led to the identification of a novel GPR119 agonist. Based on a spirocyclic cyclohexane structure reported in our previous work, we identified compound 8 as a lead compound, being guided by ligand-lipophilicity efficiency (LLE), which linked potency and lipophilicity. Subsequent optimization studies of 8 for improvement of solubility afforded representative 21. Compound 21 had no inhibitory activity against six CYP isoforms and showed favorable pharmacokinetic properties and hypoglycemic activity in rats.
• HETEROCYCLIC GPCR AGONISTS
  申请人：Prosidion Limited

  公开号：EP2013201A1

  公开（公告）日：2009-01-14