4-hexylbenzohydrazide | 64328-58-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-hexylbenzohydrazide
• CAS: 64328-58-1
• 化学式: C₁₃H₂₀N₂O
• 分子量: 220.315
• InChiKey: IFEUXAGXBUVMPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-hexylbenzohydrazide 在 吡啶 、 phosphorous (V) sulfide 作用下， 生成 2-(4-Hexyl-phenyl)-5-((S)-5-methyl-heptyl)-[1,3,4]thiadiazole
  参考文献：
  名称：

  Sugita, Shin-Ichi; Toda, Susumu; Teraji, Tsutomu, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1993, vol. 237, p. 33 - 38

  摘要：

  DOI：
• 作为产物：
  描述：

  p-己基苯甲酸甲酯 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 4-hexylbenzohydrazide
  参考文献：
  名称：

  Sugita, Shin-Ichi; Toda, Susumu; Teraji, Tsutomu, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1993, vol. 237, p. 33 - 38

  摘要：

  DOI：

文献信息

• Mesomorphic compound, liquid crystal composition containing same and
  申请人：Canon Kabushiki Kaisha

  公开号：US05091109A1

  公开（公告）日：1992-02-25

  A mesomorphic compound represented by the following formula (I): ##STR1## wherein R.sub.1 and R.sub.2 respectively denote an alkyl group having 1-16 carbon atoms capable of having a substituent; X.sub.1, X.sub.2 and X.sub.3 respectively denote a single bond, --O--, ##STR2## A.sub.1 and A.sub.2 respectively ##STR3## wherein X.sub.4 and X.sub.5 respectively denote hydrogen, fluorine, chlorine, bromine, --CH.sub.3, --CN or --CF.sub.3 with proviso that X.sub.1 always denotes a single bond when A.sub.1 denotes a single bond; and n is 0 or 1.

  由以下公式（I）表示的一种中胚层化合物：##STR1##其中R.sub.1和R.sub.2分别表示具有1-16个碳原子的烷基基团，能够具有取代基；X.sub.1、X.sub.2和X.sub.3分别表示单键，--O--，##STR2##A.sub.1和A.sub.2分别##STR3##其中X.sub.4和X.sub.5分别表示氢、氟、氯、溴、--CH.sub.3、--CN或--CF.sub.3，条件是当A.sub.1表示单键时，X.sub.1始终表示单键；n为0或1。
• Dimitrowa, K.; Hauschild, J.; Zaschke, H., Journal fur praktische Chemie (Leipzig 1954), 1980, vol. 322, # 6, p. 933 - 944
  作者：Dimitrowa, K.、Hauschild, J.、Zaschke, H.、Schubert, H.

  DOI：——

  日期：——
• Investigating the structure-activity relationships of N’ -[(5-nitrofuran-2-yl) methylene] substituted hydrazides against Trypanosoma cruzi to design novel active compounds
  作者：Fanny Palace-Berl、Kerly Fernanda Mesquita Pasqualoto、Bianca Zingales、Carolina Borsoi Moraes、Mariana Bury、Caio Haddad Franco、Adelson Lopes da Silva Neto、João Sussumu Murayama、Solange Lessa Nunes、Marcelo Nunes Silva、Leoberto Costa Tavares

  DOI：10.1016/j.ejmech.2017.12.011

  日期：2018.1

  Chagas disease, caused by the protozoan Trypanosoma cruzi, is a neglected chronic tropical infection endemic in Latin America. New and effective treatments are urgently needed because the two available drugs - benznidazole (BZD) and nifurtimox (NFX) - have limited curative power in the chronic phase of the disease. We have previously reported the design and synthesis of N'-[(5-nitrofuran-2-yl) methylene] substituted hydrazides that showed high trypanocidal activity against axenic epimastigote forms of three T cruzi strains. Here we show that these compounds are also active against a BZD- and NFX-resistant strain. Herein, multivariate approaches (hierarchical cluster analysis and principal component analysis) were applied to a set of thirty-six formerly characterized compounds. Based on the findings from exploratory data analysis, novel compounds were designed and synthesized. These compounds showed two-to three-fold higher trypanocidal activity against epimastigote forms than the previous set and were 25-30-fold more active than BZD. Their activity was also evaluated against intracellular amastigotes by high content screening (HCS). The most active compounds (BSF-38 to BSF-40) showed a selective index (SI') greater than 200, in contrast to the SI' values of reference drugs (NFX, 16.45; BZD, > 3), and a 70-fold greater activity than BZD. These findings indicate that nitrofuran compounds designed based on the activity against epimastigote forms show promising trypanocidal activity against intracellular amastigotes, which correspond to the predominant parasite stage in the chronic phase of Chagas disease. (C) 2017 Elsevier Masson SAS. All rights reserved.
• DIMITROWA K.; HAUSCHILD J.; ZASCHKE H.; SCHUBERT H., J. PRAKT. CHEM., 1980, 322, NO 6, 933-944
  作者：DIMITROWA K.、 HAUSCHILD J.、 ZASCHKE H.、 SCHUBERT H.

  DOI：——

  日期：——
• Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP0415256B1

  公开（公告）日：1995-11-02