5-肼基-3-（2-噻吩基）-1，2，4-噻二唑 | 306936-74-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-肼基-3-（2-噻吩基）-1，2，4-噻二唑
• 英文名称: (3-Thiophen-2-yl-[1,2,4]thiadiazol-5-yl)-hydrazine
• 英文别名: 5-Hydrazinyl-3-(thiophen-2-yl)-1,2,4-thiadiazole；(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)hydrazine
• CAS: 306936-74-3
• 化学式: C₆H₆N₄S₂
• mdl: MFCD00833101
• 分子量: 198.272
• InChiKey: NCVBJRBPVNOUEF-UHFFFAOYSA-N

物化性质

• 熔点：
  172
• 沸点：
  354.7±34.0 °C(Predicted)
• 密度：
  1.77±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-肼基-3-（2-噻吩基）-1，2，4-噻二唑 、 N-[7-(7-Chloro-quinolin-4-ylamino)-heptyl]-2-oxo-acetamide 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 (2E)-N-[7-[(7-chloroquinolin-4-yl)amino]heptyl]-2-[(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)hydrazinylidene]acetamide
  参考文献：
  名称：

  Design, synthesis and antimalarial activity of a glyoxylylhydrazone library

  摘要：

  Synthesis of a new family of quinolylhydrazone derivatives and evaluation of their activity against a chloroquine-resistant strain of Plasmodium falciparum are described. The best compound displayed an activity 6-fold higher than chloroquine. None of the active compounds were found to inhibit beta-hematin formation in vitro in the same range as chloroquine and five among them displayed lower calculated vacuolar accumulation ratios, suggesting the implication of a different mechanism of action. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.056

文献信息

• Novel phthalazinones
  申请人：——

  公开号：US20040127707A1

  公开（公告）日：2004-07-01

  The compounds of formula I in which R1, R2, R3, R4 and R5 have the meanings as given in the description are PDE4/7 inhibitors.

  式I中，当R1、R2、R3、R4和R5的含义如描述所述时，这些化合物是PDE4/7抑制剂。
• EP1385848A2
  申请人：——

  公开号：EP1385848A2

  公开（公告）日：2004-02-04
• US7186710B2
  申请人：——

  公开号：US7186710B2

  公开（公告）日：2007-03-06
• [EN] NOVEL PHTHALAZINONES<br/>[FR] PHTALAZINONES
  申请人：ALTANA PHARMA AG

  公开号：WO2002085906A2

  公开（公告）日：2002-10-31

  The compounds of formula (I) in which R1, R2, R3, R4 and R5 have the meanings as given in the description are PDE4/7 inhibitors.
• Design, synthesis and antimalarial activity of a glyoxylylhydrazone library
  作者：A. Ryckebusch、J.-S. Fruchart、L. Cattiaux、P. Rousselot-Paillet、V. Leroux、O. Melnyk、P. Grellier、E. Mouray、C. Sergheraert、P. Melnyk

  DOI：10.1016/j.bmcl.2004.06.056

  日期：2004.9

  Synthesis of a new family of quinolylhydrazone derivatives and evaluation of their activity against a chloroquine-resistant strain of Plasmodium falciparum are described. The best compound displayed an activity 6-fold higher than chloroquine. None of the active compounds were found to inhibit beta-hematin formation in vitro in the same range as chloroquine and five among them displayed lower calculated vacuolar accumulation ratios, suggesting the implication of a different mechanism of action. (C) 2004 Elsevier Ltd. All rights reserved.