4-benzoyl-1-(2-hydroxybenzoyl)thiosemicarbazide | 130136-99-1

• 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-benzoyl-1-(2-hydroxybenzoyl)thiosemicarbazide
• 英文别名: N-[N'-(2-Hydroxy-benzoyl)-hydrazinocarbothioyl]-benzamide；N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
• CAS: 130136-99-1
• 化学式: C₁₅H₁₃N₃O₃S
• 分子量: 315.353
• InChiKey: WPHNNNSMXMVSEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 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：
  123
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-benzoyl-1-(2-hydroxybenzoyl)thiosemicarbazide 、 zinc(II) thiocyanate 以 乙醇 为溶剂， 以60%的产率得到(thiocyanato-N)(1-salicyloyl-4-benzoyl-3-thiosemicarbazyl)zinc(II)
  参考文献：
  名称：

  BIOLOGICAL AND SOLID STATE ELECTRICAL CONDUCTANCE PROPERTIES OF THE COMPLEXES OF 1-SALICYLOYL-4-BENZOYL-3-THIOSEMICARBAZIDE WITH MANGANESE(II), COBALT(II), NICKEL(II), COPPER(II), AND ZINC(II)

  摘要：

  This paper describes the solid state electrical conductivity of a new ligand, 1-salicyloyl-4-benzoyl-3-thiosemicarbazide (HL), and its complexes [M(L)(SCN)] [M = Mn(II), Co(II), Cu(II) or Zn(II)], [Ni(L)(SCN)(H2O)] and [M(L)Cl] [M = Mn(II), Co(II), Ni(II), Cu(II) or Zn(II)]. The structure and bonding of the complexes have been investigated on the basis of elemental analyses, magnetic susceptibility, UV-Vis., IR, ESR, FAB-mass and NMR spectral data. The above studies indicate that the cobalt(II), nickel(II) and manganese(II) complexes have a tetrahedral structure, while the copper(II) complex is square-planar. Solution conductivity measurements reveal non-electrolytic behaviour of the complexes. Temperature dependent conductivity of compressed pellets of the complexes in the temperature range 303-383 K exhibited sigma(rt) values in the 10(-11)-10(-7) S cm(-1) range. All of the complexes are semiconductors as their conductivity increases with temperature increase, showing a band gap of 0.21-0.65 eV.

  DOI：

  10.1081/sim-120013144
• 作为产物：
  描述：

  水杨酸甲酯 在 hydrazine hydrate 作用下， 以 乙醇 、 乙腈 为溶剂， 70.0 ℃ 、101.33 kPa 条件下， 反应 27.0h， 生成 4-benzoyl-1-(2-hydroxybenzoyl)thiosemicarbazide
  参考文献：
  名称：

  苯甲酰基-硫代氨基脲支架的药物调节揭示了在细菌中靶向d-丙氨酰-d-丙氨酸连接酶的抗菌剂。

  摘要：

  d -Alanyl- d丙氨酸连接酶（DDL）是参与肽聚糖生物合成的细菌酶中的验证和有吸引力的目标。在目前的工作中，我们调查了苯甲酰基硫代氨基脲骨架的药物调节，以鉴定具有抗菌效力的新型Ddl抑制剂。通过简单的方法合成了五个新系列的硫代氨基脲类似物1,2,4-硫代三唑-3-硫酮，1,3,4-噻二唑，苯基硫代氨基脲，二酰基硫代氨基脲和硫脲，然后针对Ddl以及易感或耐药细菌菌株进行了测试。在这些当中，硫半脲和硫代三唑被认为是最有前途的支架，其在微摩尔范围内具有Ddl抑制能力。水杨醛-4（N）-（3,4-二氯苯基）硫半脲33是我们研究中最好的化合物之一，对VRE菌株的抗菌活性为3.12–6.25μM（1.06–2.12μg/ mL），而对VRE菌株的抗菌活性为12.5–25.0μM（4.25） –8.50μg/ mL），针对MRSA和VRSA菌株。对Ddl抑制剂4-（3,4-二氯苯基）-5-（2-羟苯基）-2

  DOI：

  10.1016/j.ejmech.2020.112444

文献信息

• Discrete polynuclear manganese nanorods: syntheses, crystal structures and magnetic properties
  作者：Jian-Jun Liu、Yao Wang、Shu-Ting Wu、Mei-Jin Lin、Chang-Cang Huang、Wen-Xin Dai

  DOI：10.1039/c4ra07015a

  日期：——

  Shape-anisotropic nanomaterials with uniform lengths and widths have attracted much interest but few of them are involved in self-assembled manganese complexes. The combination of two redox-active acylthiosemicarbazide ligands with Mn3+ cations leads to two discrete polynuclear Mn nanorods, pentanuclear [Mn5(L3)6][Mn0.7(DMF)1.4(H2O)2.8] (1a) and trinuclear Mn3(L4)3·2DMF (2), whose L3 and L4 represent N-(5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide and N-(5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)-propionamide, respectively, which are in situ synthesized from their acylthiosemicarbazide derivatives in the presence of Mn3+ cations, while the latter are reduced into divalent ones in rod-like moieties. For each pentanuclear anion in 1a, the charge is balanced by a solvated trivalent manganese cation, which can be replaced by two tetramethylammonium cations to yield pure valence compound 1b. Moreover, the magnetic studies reveal all of them possess antiferromagnetic properties.

  具有均匀长度和宽度的形状各向异性纳米材料引起了人们的广泛兴趣，但其中很少涉及自组装锰配合物。将两种具有氧化还原活性的酰基硫代氨基甲酸配体与 Mn3+ 阳离子结合，可得到两种离散的多核锰纳米棒，即五核 [Mn5(L3)6][Mn0.7(DMF)1.4(H2O)2.8] (1a) 和三核 Mn3(L4)3-2DMF (2)，其中 L3 和 L4 分别代表 N-(5-(2-羟基苯基)-1,3,4-恶二唑-2-基)苯甲酰胺和 N-(5-(2-羟基苯基)-1,3,4-恶二唑-2-基)丙酰胺、分别由其酰基硫代氨基氮衍生物在 Mn3+ 阳离子存在下原位合成，而后者则在棒状分子中还原成二价阳离子。对于 1a 中的每个五核阴离子，其电荷都由一个溶解的三价锰阳离子来平衡。此外，磁性研究显示它们都具有反铁磁性。
• Design, synthesis and algicides activities of thiourea derivatives as the novel scaffold aldolase inhibitors
  作者：Shan Xiao、Lin Wei、Zongqin Hong、Li Rao、Yanliang Ren、Jian Wan、Lingling Feng

  DOI：10.1016/j.bmc.2019.01.023

  日期：2019.3

  further elucidated by jointly using DOX computational protocol, MM-PBSA and site-directed mutagenesis assays. The positive results suggest that strategy adopted in this study was promising to rapidly discovery the potent inhibitors with novel scaffolds. The satisfactory algicide activities suggest that the thiourea derivatives is very likely to be a promising lead for the development of novel specific

  通过使用新的基于片段的虚拟筛选策略，从果蓝藻（CyFBA）的果糖-1、6-二磷酸醛缩酶的活性位点重新发现了两个系列的新型FBA-II抑制剂（硫脲衍生物）。相比之下，与N-（苯基氨基甲硫酰基）苯甲酰胺衍生物（L1-L13）相比，大多数N-（2-苯甲酰基肼-1-碳硫基）苯甲酰胺衍生物（L14〜L22）显示出更高的CyFBA-II抑制活性。尤其是，化合物L14不仅显示出较高的CyFBA-II活性（Ki = 0.65μM），而且还显示出最有效的针对拟球藻sp。的体内活性。PCC 6803（EC50 = 0.09 ppm），比以前的抑制剂（EC50 = 0.6 ppm）高（7倍）。通过联合使用DOX计算方案，MM-PBSA和定点诱变分析进一步阐明了化合物L14和CyFBA-II的结合模式。积极的结果表明，这项研究中采用的策略有望迅速发现具有新型支架的有效抑制剂。令人满意的除藻剂活性表明，硫脲衍生物很
• Structure-activity Relationship Studies of Microbiologically Active Thiosemicarbazides Derived from Hydroxybenzoic Acid Hydrazides
  作者：Tomasz Plech、Agata Paneth、Barbara Kaproń、Urszula Kosikowska、Anna Malm、Aleksandra Strzelczyk、Paweł Stączek

  DOI：10.1111/cbdd.12392

  日期：2015.3

  of Gram‐negative species (Escherichia coli ATCC 25922, Klebsiella pneumoniae ATCC 13883, Proteus mirabilis ATCC 12453). The most potent antimicrobial activity was observed in the cases of salicylic acid hydrazide derivatives. The differences in activity inspired us to conduct conformational analysis using molecular mechanics level. The obtained results suggest that the molecule geometry, especially

  合成了45种硫代氨基脲衍生物，并评估了它们对革兰氏阳性和革兰氏阴性细菌的抗菌活性。某些所述化合物对革兰氏阳性菌参考菌株表现出有趣的活性，而只有两种衍生物具有抑制革兰氏阴性菌生长的能力（大肠杆菌ATCC 25922，肺炎克雷伯菌ATCC 13883，变形杆菌）ATCC 12453）。在水杨酸酰肼衍生物的情况下观察到最有效的抗菌活性。活动的差异促使我们使用分子力学水平进行构象分析。获得的结果表明，分子的几何形状，尤其是在硫代氨基脲骨架的N4-末端，决定了抗菌活性。不幸的是，与我们的预期相反，仅一种测试的化合物抑制了topoIV酶的活性，而且它们都没有针对DNA促旋酶的活性。
• Bekheit, M. M.; Ibrahim, K. M.; Elreash, G. M. Abu, Bulletin de la Societe Chimique de France, 1990, # 2, p. 169 - 173
  作者：Bekheit, M. M.、Ibrahim, K. M.、Elreash, G. M. Abu

  DOI：——

  日期：——
• Pharmaceutical Compositions For and Methods of Inhibiting Hcv
  申请人：Huang Mingjun

  公开号：US20080207760A1

  公开（公告）日：2008-08-28

  The present invention relates generally to replicase complex defect inducers and pharmaceutical compositions containing such inducers. Methods of developing mutants that are resistant to replicase complex defect inducers are also provided. Further included are mutants that can be used in screening for replicase complex defect inducers. Methods of screening test compounds for the ability to induce the formation of replicase complex defects are also described. Also included are methods of inhibition of HCV replication by replicase complex defect inducers.