2-(4-溴苯基)乙酰肼 | 57676-50-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-溴苯基)乙酰肼
• 英文名称: 2-(4-bromophenyl)acetohydrazide
• 英文别名: (4-bromo-phenyl)-acetic acid hydrazide；4-Brom-phenylessigsaeurehydrazid
• CAS: 57676-50-3
• 化学式: C₈H₉BrN₂O
• mdl: MFCD02612352
• 分子量: 229.076
• InChiKey: CAVXKYRRHDMKIP-UHFFFAOYSA-N

物化性质

• 熔点：
  165-166 °C(Solv: methanol (67-56-1))
• 沸点：
  426.1±28.0 °C(Predicted)
• 密度：
  1.547±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi

反应信息

• 作为反应物：
  描述：

  2-(4-溴苯基)乙酰肼 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 72.0h， 生成 5-(4-溴苄基)-4H-1,2,4-三唑-3-胺
  参考文献：
  名称：

  A structure–activity relationship study of 1,2,4-triazolo[1,5-a][1,3,5]triazin-5,7-dione and its 5-thioxo analogues on anti-thymidine phosphorylase and associated anti-angiogenic activities

  摘要：

  Thirty-three 1,2,4-triazolo[1,5-a][1,3,5]triazin-5,7-dione and its 5-thioxo analogues were designed and synthesized which contained different substituents at meta- and/or para-positions of 2-phenyl or 2-benzyl ring attached to the fused ring structure. The preliminary pharmacological evaluation demonstrated that the 5-thioxo analogues of 1,2,4-triazolo[1,5-a][1,3,5]triazine exhibited a varying degree of inhibitory activity towards thymidine phosphorylase, comparable or better than reference compound, 7-Deazaxanthine (7-DX, 2) (IC50 value = 42.63 mu M). Moreover, compounds 5q and 6i displayed a mixed-type of inhibitory mechanism in the presence of variable concentrations of thymidine (dThd). In addition, selected compounds were found to have a noticeable inhibitory effect on the expression of angiogenesis markers, including VEGF and MMP-9 in MDA-MB-231 breast cancer cells. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.06.051
• 作为产物：
  描述：

  对溴苯乙酸乙酯 在 肼 作用下， 以 乙醇 、 水 为溶剂， 生成 2-(4-溴苯基)乙酰肼
  参考文献：
  名称：

  [EN] IL4I1 INHIBITORS AND METHODS OF USE
  [FR] INHIBITEURS D'IL4I1 ET PROCÉDÉS D'UTILISATION

  摘要：

  本文描述了化合物I的结构或其药用盐。化合物I作为IL4I1抑制剂，可用于预防、治疗或作为IL4I1相关疾病的治疗剂。

  公开号：

  WO2021226003A1

文献信息

• OXADIAZOLE DERIVATIVE HAVING ENDOTHELIAL LIPASE INHIBITORY ACTIVITY
  申请人：Masuda Koji

  公开号：US20120253040A1

  公开（公告）日：2012-10-04

  Disclosed is a compound which is useful as an endothelial lipase inhibitor. A compound represented by the formula: its pharmaceutically acceptable salt, or a solvate thereof, wherein Ring A is aromatic carbocycle or aromatic heterocycle, Z is —NR 5 —, —O— or —S—, R 5 is hydrogen, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl, substituted or unsubstituted alkynyl, substituted or unsubstituted aryl or the like, R 1 is hydrogen, halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl or the like, R 2 and R 3 are each independently hydrogen, halogen, hydroxy or the like, R 4 is a group represented by the formula: —(CR 6 R 7 )n-R 8 , wherein R 6 and R 7 are each independently hydrogen, halogen, hydroxy or the like, n is an integer of 0 to 3, R 8 is carboxy, cyano, substituted or unsubstituted alkyl or the like, R x is halogen, hydroxy, cyano, nitro, carboxy, substituted or unsubstituted alkyl, substituted or unsubstituted alkenyl or the like, m is an integer of 0 to 3.

  揭示了一种作为内皮酶抑制剂有用的化合物。 一种由下式表示的化合物： 其药学上可接受的盐，或其溶剂化合物， 其中 环A是芳香碳环或芳香杂环， Z是-NR 5 —，-O-或-S-， R 5 是氢，取代或未取代的烷基，取代或未取代的烯基，取代或未取代的炔基，取代或未取代的芳基或类似物， R 1 是氢，卤素，羟基，氰基，硝基，羧基，取代或未取代的烷基，取代或未取代的烯基或类似物， R 2 和R 3 各自独立地是氢，卤素，羟基或类似物， R 4 是由下式表示的基团：-(CR 6 R 7 )n-R 8 ， 其中R 6 和R 7 各自独立地是氢，卤素，羟基或类似物，n是0到3的整数，R 8 是羧基，氰基，取代或未取代的烷基或类似物， R x 是卤素，羟基，氰基，硝基，羧基，取代或未取代的烷基，取代或未取代的烯基或类似物， m是0到3的整数。
• NOVEL HETEROARYL COMPOUND, ENANTIOMER, DIASTEREOMER OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND ANTIVIRAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：INSTITUT PASTEUR KOREA

  公开号：US20200031816A1

  公开（公告）日：2020-01-30

  The present invention relates to a novel heteroaryl compound, an enantiomer, a diastereomer or a pharmaceutically acceptable salt thereof, and an antiviral composition comprising the same as an active ingredient. The novel compounds represented by formula (I) or formula (II) according to the present invention are remarkably superior in antiviral activity against an influenza virus, and furthermore, have low cytotoxicity and thus low adverse effects on a human body. Therefore, a pharmaceutical composition containing the same as an active ingredient can be effectively used for the prevention or treatment of diseases caused by an influenza virus infection.

  本发明涉及一种新型杂环芳基化合物，其对映异构体、顺异构体或其药学上可接受的盐，以及包含其作为活性成分的抗病毒组合物。根据本发明的化合物代表的新型化合物（I）或化合物（II）在抗流感病毒活性方面明显优越，并且具有低细胞毒性，因此对人体的不良影响较低。因此，含有该化合物作为活性成分的药物组合物可有效用于预防或治疗由流感病毒感染引起的疾病。
• Influence of the diversified structural variations at the imine functionality of 4-bromophenylacetic acid derived hydrazones on alkaline phosphatase inhibition: synthesis and molecular modelling studies
  作者：Imtiaz Khan、Aliya Ibrar、Syeda Abida Ejaz、Shafi Ullah Khan、Syed Jawad Ali Shah、Shahid Hameed、Jim Simpson、Joanna Lecka、Jean Sévigny、Jamshed Iqbal

  DOI：10.1039/c5ra14836g

  日期：——

  Putative binding mode of4ginside the active pocket of h-PLAP.

  假设4g在h-PLAP的活性口袋内的结合模式。
• [EN] PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS<br/>[FR] COMPOSÉS DE STABILISATION DE PROTÉINES CONTENANT DES LIGANDS CIBLANT USP28 ET/OU USP25
  申请人：STABLIX INC

  公开号：WO2023122298A1

  公开（公告）日：2023-06-29

  This invention provides protein stabilizing compounds that have a USP28 Targeting Ligand or USP25 Targeting Ligand, a Protein Targeting Ligand, and optionally a Linker, wherein the Target Protein is ubiquitinated. The protein stabilizing compounds of the present invention can be used to deubiquitinate the Ubiquitinated Target Protein and thus increase the concentration and/or function of the Target Protein.

  本发明提供的蛋白质稳定化合物具有 USP28 靶向配体或 USP25 靶向配体、蛋白质靶向配体和可选的连接体，其中靶蛋白被泛素化。本发明的蛋白质稳定化合物可用于泛素化目标蛋白的去泛素化，从而提高目标蛋白的浓度和/或功能。
• Biaryl carboxamide‐based peptidomimetics analogs as potential pancreatic lipase inhibitors for treating obesity
  作者：Vikash Pandey、Patil A. Adhikrao、Gudle M. Motiram、Nisha Yadav、Utkarsh Jagtap、Gautam Kumar、Atish Paul

  DOI：10.1002/ardp.202300503

  日期：2024.4

  synthesized using an optimized scheme and confirmed by 1H and 13C nuclear magnetic resonance and high-resolution mass spectrometry techniques. The synthesized peptidomimetics analogs were screened in vitro to understand the inhibitory potential of pancreatic lipase (PL). Analogs were assessed for the PL inhibitory activity based on interactions, geometric complementarity, and docking score. Among the

  采用优化方案合成了一系列1,1'-联苯-3-甲酰胺和呋喃-苯基-甲酰胺类似物，并通过1 H 和13 C 核磁共振和高分辨率质谱技术进行了证实。在体外筛选合成的肽模拟物类似物，以了解胰腺脂肪酶（PL）的抑制潜力。根据相互作用、几何互补性和对接分数评估类似物的 PL 抑制活性。在合成的类似物中，与标准药物奥利司他相比， 9 、 29和24被发现具有最有效的 PL 抑制活性，IC 50值分别为 3.87、4.95 和 5.34 µM。抑制 PL，IC 50值为 0.99 µM。最有效的类似物9表现出竞争型抑制，抑制常数 ( K i ) 为 2.72 µM。类似物9与 PL (PDB ID:1LPB) 的计算机分子对接显示对接分数为 -11.00 kcal/mol。类似物9在蛋白质的活性位点与Ser152、His263形成关键的氢键相互作用，与Asp79、Arg256形成π-阳离子相互作用，并与P