6-溴-2-萘并肼 | 948859-96-9

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 6-溴-2-萘并肼
• 英文名称: 6-bromonaphthalene-2-carbohydrazide
• 英文别名: 6-bromo-2-naphthoic hydrazide；6-bromo-2-naphthoic acid hydrazide；6-Bromo-2-naphthohydrazide
• CAS: 948859-96-9
• 化学式: C₁₁H₉BrN₂O
• 分子量: 265.109
• InChiKey: MPSZGJYOWFYZDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  6-溴-2-萘并肼 以 甲醇 、 乙醇 为溶剂， 反应 9.08h， 生成
  参考文献：
  名称：

  含萘环的具有单晶结构的酰腙金属配合物的 合成方法及应用

  摘要：

  本发明涉及含萘环的酰腙金属配合物的合成方法及应用，该含萘环的酰腙金属配合物的结构式为：式中：M为Cr或Co，该含萘环的酰腙金属配合物在抑制大肠杆菌、金黄色葡萄球菌、枯草芽孢杆菌和铜绿假单胞菌的药物中作为有效抑菌成分，有明显的抑菌作用，且抑菌效率高，而且合成条件温和，成本低，适于工业化推广使用。

  公开号：

  CN109265393B
• 作为产物：
  描述：

  6-溴-2-萘甲酸甲酯 在 hydrazine hydrate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 6-溴-2-萘并肼
  参考文献：
  名称：

  含萘环的具有单晶结构的酰腙金属配合物的 合成方法及应用

  摘要：

  本发明涉及含萘环的酰腙金属配合物的合成方法及应用，该含萘环的酰腙金属配合物的结构式为：式中：M为Cr或Co，该含萘环的酰腙金属配合物在抑制大肠杆菌、金黄色葡萄球菌、枯草芽孢杆菌和铜绿假单胞菌的药物中作为有效抑菌成分，有明显的抑菌作用，且抑菌效率高，而且合成条件温和，成本低，适于工业化推广使用。

  公开号：

  CN109265393B

文献信息

• Discovery and Mechanism Study of SIRT1 Activators that Promote the Deacetylation of Fluorophore-Labeled Substrate
  作者：Jiahui Wu、Dengyou Zhang、Lei Chen、Jianneng Li、Jianling Wang、Chengqing Ning、Niefang Yu、Fei Zhao、Dongying Chen、Xiaoyan Chen、Kaixian Chen、Hualiang Jiang、Hong Liu、Dongxiang Liu

  DOI：10.1021/jm301032j

  日期：2013.2.14

  SIRT1 is an NAD(+)-dependent deacetylase, whose activators have potential therapeutic applications in age-related diseases. Here we report a new class of SIRT1 activators. The activation is dependent on the fluorophore labeled to the substrate. To elucidate the activation mechanism, we solved the crystal structure of SIRT3/ac-RHKKac-AMC complex. The structure revealed that the fluorophore blocked the H-bond formation and created a cavity between the substrate and the Rossmann fold. We built the SIRT1/ac-RHKKac-AMC complex model based on the crystal structure. K-m and K-d determinations demonstrated that the fluorophore decreased the peptide binding affinity. The binding modes of SIRT1 activators indicated that a portion of the activators interacts with the fluorophore through pi-stacking, while the portion inserts into the cavity or interacts with the Rossmann fold, thus increasing the substrate affinity. Our study provides new insights into the mechanism of SIRT1 activation and may aid the design of novel SIRT1 activators.
• Discovering Potent Inhibitors Against the β-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) of <i>Helicobacter pylori</i>: Structure-Based Design, Synthesis, Bioassay, and Crystal Structure Determination
  作者：Lingyan He、Liang Zhang、Xiaofeng Liu、Xianghua Li、Mingyue Zheng、Honglin Li、Kunqian Yu、Kaixian Chen、Xu Shen、Hualiang Jiang、Hong Liu

  DOI：10.1021/jm8015602

  日期：2009.4.23

  The discovery of HpFabZ inhibitors is now of special interest in the treatment of various gastric diseases. In this work, three series of derivatives (compounds 3, 4, and 5) were designed, synthesized, and their biological activities were investigated as potential HpFabZ inhibitors in a two phased manner. First, we designed and synthesized two series of derivatives (3a-r and 4a-u) and evaluated the enzyme-based assay against HpFabZ. Five compounds (3i-k, 3m, and 3q) showed potential inhibitory activity, with IC(50) values less than 2 muM. Second, a focused combinatorial library containing 280 molecules was designed employing the LD1.0 program. Twelve compounds (5a-l) were selected and synthesized. The activity of the most potent compound 5h (IC(50) = 0.86 muM) was 46 times higher than that of the hit 1. The high hit rate and the potency of the new HpFabZ inhibitors demonstrated the efficiency of the strategy for the focused library design and virtual screening.
• WO2007/102683
  申请人：——

  公开号：——

  公开（公告）日：——
• NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTRONIC DEVICE USING THE SAME
  申请人：LG Chem, Ltd.

  公开号：EP1991514B1

  公开（公告）日：2017-12-20
• Novel anthracene derivative and organic electronic device using the same
  申请人：Bae Jae-Soon

  公开号：US20070205412A1

  公开（公告）日：2007-09-06

  The present invention provides a novel anthracene derivative and an organic electronic device using the same. The organic electronic device according to the present invention shows excellent characteristics in efficiency, drive voltage, and life time.