2-(pyridin-4-ylthio)acetohydrazide | 98547-88-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(pyridin-4-ylthio)acetohydrazide
• 英文别名: [4]pyridylmercapto-acetic acid hydrazide；[4]Pyridylmercapto-essigsaeure-hydrazid；2-pyridin-4-ylsulfanylacetohydrazide
• CAS: 98547-88-7
• 化学式: C₇H₉N₃OS
• mdl: MFCD11643580
• 分子量: 183.234
• InChiKey: GJOKCKGOKMWOMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  93.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 2-(pyridin-4-ylthio)acetohydrazide 在 ammonium cerium(IV) nitrate 作用下， 反应 0.75h， 以81%的产率得到Methyl 2-(pyridin-4-ylthio)acetate
  参考文献：
  名称：

  Ceric(IV) ammonium nitrate in the selective conversion of hydrazides to esters

  摘要：

  Hydrazides were treated with ceric(IV) ammonium nitrate (CAN) in the presence of the appropriate alcohol as a nucleophile to afford esters in good yields. Reactions took place exclusively at the hydrazino moiety even when other sensitive groups were present in either of the partners. (C) 1999 Elsevier Science Ltd, All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00764-9
• 作为产物：
  描述：

  乙基(4-吡啶基硫基)乙酸酯 在 一水合肼 作用下， 生成 2-(pyridin-4-ylthio)acetohydrazide
  参考文献：
  名称：

  Jerchel et al., Chemische Berichte, 1956, vol. 89, p. 2921,2928

  摘要：

  DOI：

文献信息

• N-Acylhydrazones as inhibitors of PDE10A
  作者：Jennifer L. Gage、Rene Onrust、Derek Johnston、Andrew Osnowski、Wendy MacDonald、Lee Mitchell、László Ürögdi、Alex Rohde、Kevin Harbol、Sasha Gragerov、György Dormán、Tom Wheeler、Vince Florio、Neil S. Cutshall

  DOI：10.1016/j.bmcl.2011.05.100

  日期：2011.7

  Cyclic nucleotide phosphodiesterases (PDEs) are represented by a large superfamily of enzymes. A series of hydrazone-based inhibitors was synthesized and shown to be novel, potent, and selective against PDE10A. Optimized compounds of this class were efficacious in animal models of schizophrenia and may be useful for the treatment of this disease. (C) 2011 Elsevier Ltd. All rights reserved.
• Takahashi et al., Pharmaceutical Bulletin, 1954, vol. 2, p. 30,32
  作者：Takahashi et al.

  DOI：——

  日期：——
• ANTIBACTERIAL INHIBITORS
  申请人：McMaster University

  公开号：EP2882430A1

  公开（公告）日：2015-06-17
• [EN] ANTIBACTERIAL INHIBITORS<br/>[FR] INHIBITEURS ANTIBACTÉRIENS
  申请人：UNIV MCMASTER

  公开号：WO2014022923A1

  公开（公告）日：2014-02-13

  Anti-bacterial compounds have been identified having the general structures defined by Formula (I), Formula (II), and Formula (III).