4-(benzylthio)-1-methyl-1H-1,2,3-triazole | 36811-13-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(benzylthio)-1-methyl-1H-1,2,3-triazole
• 英文别名: 4-benzylsulfanyl-1-methyltriazole
• CAS: 36811-13-9
• 化学式: C₁₀H₁₁N₃S
• 分子量: 205.283
• InChiKey: UQOIKTOWSPULPG-UHFFFAOYSA-N

物化性质

• 沸点：
  365.6±44.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(benzylthio)-1-methyl-1H-1,2,3-triazole 在 N-氯代丁二酰亚胺 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 2.0h， 以810 mg的产率得到1-methyl-1H-1,2,3-triazole-4-sulfonyl chloride
  参考文献：
  名称：

  [EN] HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS
  [FR] MODULATEURS DES RÉCEPTEURS DE GLUCOCORTICOÏDES CONSISTANT EN AZADÉCALINES À HÉTÉROARYLE CÉTONE FUSIONNÉ

  摘要：

  公开号：

  WO2013177559A3
• 作为产物：
  描述：

  溴甲苯 在 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.17h， 生成 4-(benzylthio)-1-methyl-1H-1,2,3-triazole
  参考文献：
  名称：

  Synthesis and Biological Evaluation ofN-((1-(4-(Sulfonyl)piperazin-1-yl)cycloalkyl)methyl)benzamide Inhibitors of Glycine Transporter-1

  摘要：

  We previously disclosed the discovery of rationally designed N-((1-(4-(propylsulfonyl)piperazin-1-yl)cycloalkyl)methyl)benzamide inhibitors of glycine transporter-1 (GlyT-1), represented by analogues 10 and 11. We describe herein further structure-activity relationship exploration of this series via an optimization strategy that primarily focused on the sulfonamide and benzamide appendages of the scaffold. These efforts led to the identification of advanced leads possessing a desirable balance of excellent in vitro GlyT-1 potency and selectivity, favorable ADME and in vitro pharmacological profiles, and suitable pharmacokinetic and safety characteristics. Representative analogue (+)-67 exhibited robust in vivo activity in the cerebral spinal fluid glycine biomarker model in both rodents and nonhuman primates. Furthermore, rodent microdialysis experiments also demonstrated that oral administration of (+)-67 significantly elevated extracellular glycine levels within the medial prefrontal cortex (mPFC).

  DOI：

  10.1021/acs.jmedchem.6b00914

文献信息

• OCTAHYDRO FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS
  申请人：Corcept Therapeutics, Inc.

  公开号：US20150148341A1

  公开（公告）日：2015-05-28

  The present invention provides octahydro fused azadecalin compounds and methods of using the compounds as glucocorticoid receptor modulators.

  本发明提供了八氢融合的阿扎德卡林化合物以及将这些化合物用作糖皮质激素受体调节剂的方法。
• [EN] PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY<br/>[FR] DÉRIVÉS DE PYRROLIDINE, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT, ET LEUR UTILISATION EN THÉRAPIE
  申请人：ABBVIE DEUTSCHLAND

  公开号：WO2014140310A1

  公开（公告）日：2014-09-18

  The present invention relates to pyrrolidine derivatives of formula (I), or a physiologically tolerated salt thereof. The invention relates to pharmaceutical compositions comprising such pyrrolidine derivatives, and the use of such pyrrolidine derivatives for therapeutic purposes. The pyrrolidine derivatives are GlyT1 inhibitors.

  本发明涉及式(I)的吡咯烷衍生物，或其生理耐受盐。该发明涉及包含此类吡咯烷衍生物的药物组合物，以及利用此类吡咯烷衍生物进行治疗的用途。这些吡咯烷衍生物是GlyT1抑制剂。
• METHODS OF PREPARING REGIOSELECTIVE N-ALKYL TRIAZOLES
  申请人：Corcept Therapeutics, Inc.

  公开号：US20190322629A1

  公开（公告）日：2019-10-24

  Methods of preparing N-2 alkylated triazoles substantially free from N-1 and N-3 alkylated triazoles are disclosed. The methods include one-step alkylation methods and two-step alkylation methods for the preparation of N-alkylated triazoles.

  公开了一种制备基本不含N-1和N-3烷基化三唑的N-2烷基化三唑的方法。这些方法包括一步烷基化方法和两步烷基化方法，用于制备N-烷基化三唑。
• Heteroaryl-Ketone Fused Azadecalin Glucocorticoid Receptor Modulators
  申请人：Corcept Therapeutics, Inc.

  公开号：US20140038926A1

  公开（公告）日：2014-02-06

  The present invention provides heteroaryl ketone fused azadecalin compounds and methods of using the compounds as glucocorticoid receptor modulators.

  本发明提供了杂环基酮融合的氮杂十环化合物，以及使用这些化合物作为糖皮质激素受体调节剂的方法。
• GLYCINE TRANSPORTER-1 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF
  申请人：CIOFFI Christopher L.

  公开号：US20110312931A1

  公开（公告）日：2011-12-22

  The compounds of the present invention are represented by the following formula (I): wherein the substituents R 1 , R 2 , R 3 , R 4 , (R 5 ) m , R 6 , A, X, and Y are as defined herein. The compounds are useful in methods of treating a disorder which is created by or is dependent upon inhibiting GlyT-1.

  本发明的化合物由以下公式（I）表示：其中，取代基R1、R2、R3、R4、（R5）m、R6、A、X和Y的定义如本文所述。这些化合物可用于治疗由抑制GlyT-1引起或依赖于GlyT-1抑制的疾病的方法。