4-(2-Pyridyl)-1-piperazinecarbothioic acid 2-(1-(2-pyridyl)ethylidene)hydrazide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(2-Pyridyl)-1-piperazinecarbothioic acid 2-(1-(2-pyridyl)ethylidene)hydrazide
• 英文别名: 4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide
• 化学式: C₁₇H₂₀N₆S
• 分子量: 340.4
• InChiKey: DMHZABFBJXEDGZ-XSFVSMFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl (E)-2-(1-(pyridin-2-yl)ethylidene)hydrazine-1-carbodithioate 生成 4-(2-Pyridyl)-1-piperazinecarbothioic acid 2-(1-(2-pyridyl)ethylidene)hydrazide
  参考文献：
  名称：

  KLAYMAN, DANIEL L.;LIN, AI J.;MCCALL, JOHN W.;WANG, SHAO-YIN;TOWNSON, SIM+, J. MED. CHEM., 34,(1991) N, C. 1422-1425

  摘要：

  DOI：

文献信息

• (Thio, oxo, and seleno) semicarbazone complexes with zinc and their use for treating cancer
  申请人：RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY

  公开号：US10221133B2

  公开（公告）日：2019-03-05

  The invention provides organic complexes of Zn2+ of formula (I) that are useful for treating cancer, as well as compositions and kits comprising such complexes, and intermediate monomer compounds that are useful for the preparation of such complexes.

  本发明提供了可用于治疗癌症的式 (I) Zn2+ 有机络合物、包含此类络合物的组合物和试剂盒，以及可用于制备此类络合物的中间单体化合物。
• KLAYMAN, DANIEL L.;LIN, AI J.;MCCALL, JOHN W.;WANG, SHAO-YIN;TOWNSON, SIM+, J. MED. CHEM., 34,(1991) N, C. 1422-1425
  作者：KLAYMAN, DANIEL L.、LIN, AI J.、MCCALL, JOHN W.、WANG, SHAO-YIN、TOWNSON, SIM+

  DOI：——

  日期：——
• KLAYMAN, D. L.;LIN, AI, J., ORG. PREP. AND PROCED. INT., 1984, 16, N 2, 79-83
  作者：KLAYMAN, D. L.、LIN, AI, J.

  DOI：——

  日期：——
• SCOVILL, JOHN P.;KLAYMAN, DANIEL L.;FRANCHINO, CHARLES F.
  作者：SCOVILL, JOHN P.、KLAYMAN, DANIEL L.、FRANCHINO, CHARLES F.

  DOI：——

  日期：——
• (THIO, OXO, AND SELENO) SEMICARBAZONE COMPLEXES WITH ZINC AND THEIR USE FOR TREATING CANCER
  申请人：RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY

  公开号：US20180002279A1

  公开（公告）日：2018-01-04

  The invention provides organic complexes of Zn 2+ of formula (I) that are useful for treating cancer, as well as compositions and kits comprising such complexes, and intermediate monomer compounds that are useful for the preparation of such complexes.