1-[tert-butyloxycarbonyl]thiosemicarbazide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-[tert-butyloxycarbonyl]thiosemicarbazide
• 英文别名: N-tert-butyl formate(thiocarbonohydrazide)；tert-butyl 2-carbamothioylhydrazine-1-carboxylate；tert-butyl N-(carbamothioylamino)carbamate
• 化学式: C₆H₁₃N₃O₂S
• 分子量: 191.254
• InChiKey: SXZVPEUUWITQPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[tert-butyloxycarbonyl]thiosemicarbazide 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 5.0h， 以84%的产率得到5-tert-butoxy-4H-1, 2, 4-triazole-3-thiol
  参考文献：
  名称：

  咔唑叔丁酸酯中某些1，3，4-恶二唑-2-硫酮和1，2，4-三唑衍生物的合成及抑菌活性

  摘要：

  氨基甲酸叔丁酯（1）与硫氰酸铵和异硫氰酸苯酯反应，得到相应的5-叔丁氧基-4H-1，2，4-三唑-3-硫醇（3）5-叔丁氧基-4-苯基-分别为2H1、2、4-三唑-3（4H）-硫酮5。化合物（1）还与二硫化碳和氢氧化钾反应，得到5-叔丁氧基-1，3，4-恶二唑-2（3H）-硫酮6。用甲基碘2，3，4，6处理6 -四-O-乙酰基-β-吡喃葡萄糖基溴化物和肼水合物分别得到相应的化合物（7、8、10）。8与氨反应得到相应的9。用2-溴-1-苯基乙酮处理化合物10得到相应的11。所有新化合物都通过1 HNMR，IR光谱和元素分析进行​​了表征。还描述了所制备化合物的生物活性。

  DOI：

  10.13005/ojc/290219
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 氨基硫脲 在 sodium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 以55%的产率得到1-[tert-butyloxycarbonyl]thiosemicarbazide
  参考文献：
  名称：

  Leite, Ana Cristina Lima; Santos, Luciene Maria F.; Dos Anjos, Janaina Versiani, Heterocyclic Communications, 2003, vol. 9, # 1, p. 73 - 76

  摘要：

  DOI：

文献信息

• [EN] CHROMOBOX PROTEIN INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE PROTÉINE CHROMOBOX ET LEURS UTILISATIONS
  申请人：DANA FARBER CANCER INST INC

  公开号：WO2018058029A1

  公开（公告）日：2018-03-29

  Provided herein are compounds useful as inhibitors of CBX. Also described are pharmaceutical compositions and medical uses of these compounds.

  本文提供了作为CBX抑制剂有用的化合物。同时描述了这些化合物的药物组成和医药用途。
• [EN] METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS<br/>[FR] MÉTHODE DE TRAITEMENT À L'AIDE DE MODULATEURS DE L'ACIDE AMINOLÉVULINIQUE SYNTHASE 2 (ALAS2)
  申请人：AGIOS PHARMACEUTICALS INC

  公开号：WO2020247819A3

  公开（公告）日：2021-02-25
• Leite, Ana Cristina Lima; Santos, Luciene Maria F.; Dos Anjos, Janaina Versiani, Heterocyclic Communications, 2003, vol. 9, # 1, p. 73 - 76
  作者：Leite, Ana Cristina Lima、Santos, Luciene Maria F.、Dos Anjos, Janaina Versiani、De Farias, Maria Patricia Albuquerque、De Souza, Ivone Antonia、Brondani, Dalci Jose

  DOI：——

  日期：——
• Use of aminoguanidine or aminoguanidine analogs for the treatment of diseases of the nervous system
  申请人：Kaddurah-Daouk Rima

  公开号：US20070123496A1

  公开（公告）日：2007-05-31

  The present invention relates to the use of aminoguanidine compounds for treating diseases of the nervous system. Aminoguanidine compounds can be used as therapeutically effective agents against a variety of diseases of the nervous system such as diabetic and toxic neuropathies, peripheral nervous system diseases, Alzheimer's disease, Parkinson's disease, stroke, Huntington's disease, amyotropic lateral sclerosis, motor neuron disease, traumatic nerve injury, multiple sclerosis, dysmyelination and demyelination disorders, and mitochondrial diseases. The aminoguanidine compounds which can be used in the present method include (1) aminoguanidine and diaminoguanidine analogs which can act as substrates or substrate analogs for creatine kinase; (2) bisubstrate inhibitors of creatine kinase comprising covalently linked structural analogs of adenosine triphosphate (ATP) and aminoguanidine; (3) aminoguanidine analogs which can act as reversible or irreversible inhibitors of creatine kinase; and (4) N-phosphoroaminoguanidine analogs bearing nontransferable moieties which mimic the N-phosphoryl group.
• Synthesis, docking, and in vitro activity of thiosemicarbazones, aminoacyl-thiosemicarbazides and acyl-thiazolidones against Trypanosoma cruzi
  作者：Ana Cristina Lima Leite、Renata Souza de Lima、Diogo Rodrigo de M. Moreira、Marcos Veríssimo de O. Cardoso、Ana Carolina Gouveia de Brito、Luciene Maria Farias dos Santos、Marcelo Zaldini Hernandes、Alice Costa Kiperstok、Ricardo Santana de Lima、Milena B.P. Soares

  DOI：10.1016/j.bmc.2006.01.034

  日期：2006.6

  A novel series of thiosemicarbazone and aminoacyl-thiazolidones derivatives were synthesized. Their structure Suggests that these compounds could have anti-Trypanosoma cruzi activity. Biological evaluation indicates that some of these compounds are able to inhibit the growth of T cruzi in concentrations non-cytotoxic to mammalian cells. Docking studies were carried out in order to investigate the binding pattern of these compounds for the T cruzi cruzain (TCC) protein, and these showed a significant correlation with experimental data. (c) 2006 Elsevier Ltd. All rights reserved.