(4-乙基-5-硫基-4H-1,2,4-三唑-3-基)甲醇 | 497854-97-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: (4-乙基-5-硫基-4H-1,2,4-三唑-3-基)甲醇
• 英文名称: 4-ethyl-5-hydroxymethyl-2,4-dihydro-[1,2,4]triazole-3-thione
• 英文别名: (4-ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methanol；4-ethyl-3-(hydroxymethyl)-1H-1,2,4-triazole-5-thione
• CAS: 497854-97-4
• 化学式: C₅H₉N₃OS
• 分子量: 159.212
• InChiKey: YQPGYVHFGVIGIQ-UHFFFAOYSA-N

物化性质

• 沸点：
  231.4±42.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-乙基-5-硫基-4H-1,2,4-三唑-3-基)甲醇 在 potassium carbonate 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 4-((5-(4-chlorobenzylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)methyl)-6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
  参考文献：
  名称：

  Discovery of non-glucoside SGLT2 inhibitors

  摘要：

  A series of benzothiazinone and benzooxazinone derivatives were discovered as SGLT2 inhibitors. The optimization led to the discovery of compounds 31 and 32, which exhibited similar potency and better SGLT1 selectivity compared to dapagliflozin. These compounds may provide novel promising scaffolds, which are different from phlorizin-based SGLT2 inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.056
• 作为产物：
  描述：

  羟乙酸甲酯 、 4-乙基-3-硫代氨基脲 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 (4-乙基-5-硫基-4H-1,2,4-三唑-3-基)甲醇
  参考文献：
  名称：

  Discovery of non-glucoside SGLT2 inhibitors

  摘要：

  A series of benzothiazinone and benzooxazinone derivatives were discovered as SGLT2 inhibitors. The optimization led to the discovery of compounds 31 and 32, which exhibited similar potency and better SGLT1 selectivity compared to dapagliflozin. These compounds may provide novel promising scaffolds, which are different from phlorizin-based SGLT2 inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.056

文献信息

• BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1422228A1

  公开（公告）日：2004-05-26

  The present invention provides a novel benzazepine derivative represented by formula : wherein, R1 is a 5- or 6-membered aromatic ring, R2 is lower alkyl group, etc., Y is an optionally substituted imino group, ring A and ring B are independently an optionally substituted aromatic ring, W is formula -W1-X2-W2- (W1 and W2 are independently S(O)m1 (m1 is 0, 1 or 2), etc., and X2 is an optionally substituted alkylene groupetc. ), a preparation method and use thereof.

  本发明提供了一种新型的苯并氮杂环衍生物，其由以下公式表示： 其中，R1是一个5-或6-成员的芳香环，R2是低级烷基团等，Y是可选地取代的亚氨基，环A和环B是独立地选自一个可选地取代的芳香环，W是公式-W1-X2-W2-（W1和W2是独立地为S(O)m1（m1是0、1或2）等，X2是一个可选地取代的亚烷基团等），其制备方法及其用途。
• Benzazepine derivative, process for producing the same, and use
  申请人：——

  公开号：US20040235822A1

  公开（公告）日：2004-11-25

  The present invention provides a novel benzazepine derivative represented by formula: 1 wherein, R 1 is a 5- or 6-membered aromatic ring, R 2 is lower alkyl group, etc., Y is an optionally substituted imino group, ring A and ring B are independently an optionally substituted aromatic ring, W is formula —W 1 —X 2 —W 2 — (W 1 and W 2 are independently S(O) m1 (m1 is 0, 1, or 2), etc., and X 2 is an optionally substituted alkylene group etc.), a preparation method and use thereof.

  本发明提供了一种新型苯并氮杂环衍生物，其化学式表示为：1其中，R1为5-或6-成员芳香环，R2为低碳基，Y为可选取代的亚胺基，环A和环B分别为可选取代的芳香环，W为式—W1—X2—W2—（其中W1和W2分别为独立的S(O)m1（m1为0、1或2）等，X2为可选取代的烷基等），以及其制备方法和用途。
• Discovery of non-glucoside SGLT2 inhibitors
  作者：An-Rong Li、Jian Zhang、Joanne Greenberg、TaeWeon Lee、Jiwen Liu

  DOI：10.1016/j.bmcl.2011.02.056

  日期：2011.4

  A series of benzothiazinone and benzooxazinone derivatives were discovered as SGLT2 inhibitors. The optimization led to the discovery of compounds 31 and 32, which exhibited similar potency and better SGLT1 selectivity compared to dapagliflozin. These compounds may provide novel promising scaffolds, which are different from phlorizin-based SGLT2 inhibitors. (C) 2011 Elsevier Ltd. All rights reserved.