3-Fluorobenzoyl bromide | 1313582-91-0

• 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: 3-Fluorobenzoyl bromide
• CAS: 1313582-91-0
• 化学式: C₇H₄BrFO
• 分子量: 203.011
• InChiKey: OEKJNWICKQULIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Fluorobenzoyl bromide 、 ethyl 2-(2-aminobenzoylamino)-benzoate 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.08h， 以45%的产率得到ethyl 2-(2-(3-fluorobenzamido)benzamido)benzoate
  参考文献：
  名称：

  ANTIVIRAL COMPOUNDS

  摘要：

  本发明提供了新的抗病毒化合物和包括这些新化合物的药理组合物，以及它们在预防、预防和治疗病毒感染中的应用，特别是腺病毒和疱疹病毒感染。

  公开号：

  US20130210915A1

文献信息

• Discovery of Metal Ions Chelator Quercetin Derivatives with Potent Anti-HCV Activities
  作者：Dongwei Zhong、Mingming Liu、Yang Cao、Yelin Zhu、Shihui Bian、Jiayi Zhou、Fengjie Wu、Kum-Chol Ryu、Lu Zhou、Deyong Ye

  DOI：10.3390/molecules20046978

  日期：——

  Analogues or isosteres of α,γ-diketoacid (DKA) 1a show potent inhibition of hepatitis C virus (HCV) NS5B polymerase through chelation of the two magnesium ions at the active site. The anti-HCV activity of the flavonoid quercetin (2) could partly be attributed to it being a structural mimic of DKAs. In order to delineate the structural features required for the inhibitory effect and improve the anti-HCV potency, two novel types of quercetin analogues, 7-O-arylmethylquercetins and quercetin-3-O-benzoic acid esters, were designed, synthesized and evaluated for their anti-HCV properties in cell-based assays. Among the 38 newly synthesized compounds, 7-O-substituted derivative 3i and 3-O-substituted derivative 4f were found to be the most active in the corresponding series (EC50 = 3.8 μM and 9.0 μΜ, respectively). Docking studies suggested that the quercetin analogues are capable of establishing key coordination with the two magnesium ions as well as interactions with residues at the active site of HCV NS5B.

  α,γ-二酮酸（DKA）1a的类似物或同系物通过螯合活性部位的两个镁离子，显示出对丙型肝炎病毒（HCV）NS5B聚合酶的强效抑制作用。黄酮类化合物槲皮素（2）的抗HCV活性部分可归因于其作为DKA的结构模拟物。为了阐明抑制作用所需的结构特征并提高抗HCV效力，设计、合成了两种新型槲皮素类似物，即7-O-芳甲基槲皮素和槲皮素-3-O-苯甲酸酯，并在基于细胞的实验中评估了它们的抗HCV特性。在38个新合成的化合物中，7-O-取代衍生物3i和3-O-取代衍生物4f在相应系列中最具活性（EC50分别为3.8 μM和9.0 μM）。对接研究表明，槲皮素类似物能够与HCV NS5B活性部位的两个镁离子建立关键配位，并与其残基相互作用。
• [EN] INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE<br/>[FR] INHIBITEUR DE DIACYLGLYCÉROL ACYLTRANSFÉRASE
  申请人：PIRAMAL LIFE SCIENCES LTD

  公开号：WO2011080718A1

  公开（公告）日：2011-07-07

  The present invention relates to heterocyclic compounds in all their stereoisomeric and tautomeric forms; and their pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutically acceptable polymorphs. The invention also relates to processes for the manufacture of the heterocyclic compounds and to pharmaceutical compositions containing them. The said compounds and their pharmaceutical compositions are useful in the prevention and treatment of diseases or disorders mediated by diacylglycerol acyltransferase (DGAT), particularly DGAT1. The present invention further provides a method of treatment of such diseases or disorders by administering a therapeutically effective amount of said compounds or their pharmaceutical compositions, to a mammal in need thereof.

  本发明涉及杂环化合物及其所有立体异构体和互变异构体形式；以及它们的药学上可接受的盐、药学上可接受的溶剂合物和药学上可接受的多晶形态。该发明还涉及制备这些杂环化合物的方法以及含有它们的药物组合物。所述化合物及其药物组合物在预防和治疗由二酰基甘油酰基转移酶（DGAT）介导的疾病或紊乱方面具有用途，特别是DGAT1。本发明进一步提供了一种治疗这些疾病或紊乱的方法，通过向有需要的哺乳动物施用所述化合物或其药物组合物的治疗有效量。
• INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE
  申请人：Jadhav Ravindra Dnyandev

  公开号：US20120289505A1

  公开（公告）日：2012-11-15

  The present invention relates to heterocyclic compounds in all their stereoisomeric and tautomeric forms; and their pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutically acceptable polymorphs. The invention also relates to processes for the manufacture of the heterocyclic compounds and to pharmaceutical compositions containing them. The said compounds and their pharmaceutical compositions are useful in the prevention and treatment of diseases or disorders mediated by diacylglycerol acyltransferase (DGAT), particularly DGAT1. The present invention further provides a method of treatment of such diseases or disorders by administering a therapeutically effective amount of said compounds or their pharmaceutical compositions, to a mammal in need thereof.

  本发明涉及杂环化合物及其所有立体异构体和互变异构体；以及它们的药学上可接受的盐，药学上可接受的溶剂化合物和药学上可接受的多晶形态。本发明还涉及制造这些杂环化合物的方法以及含有它们的制药组合物。所述化合物及其制药组合物在预防和治疗由二酰基甘油酰基转移酶（DGAT）介导的疾病或紊乱方面具有用途，尤其是DGAT1。本发明还提供了一种通过向需要治疗的哺乳动物中给予所述化合物或其制药组合物的治疗方法来治疗这些疾病或紊乱的方法。
• Synthesis and Preclinical Evaluation of 2-(4-[¹⁸F]Fluorophenyl)imidazo[1,2-h][1,7]naphthyridine ([¹⁸F]FPND-4): An Aza-Fused Tricyclic Derivative as Positron Emission Tomography Tracer for Neurofibrillary Tangle Imaging
  作者：Tianqing Liu、Yuying Li、Xiaojun Zhang、An Yao、Yan Wang、Shulin Yao、Baian Chen、Xiao-xin Yan、Jiapei Dai、Jinming Zhang、Mengchao Cui

  DOI：10.1021/acs.jmedchem.3c00239

  日期：2023.7.27

  autoradiographic studies and biological evaluations, 4-[18F]fluorophenyl-substituted tracer [18F]13 ([18F]FPND-4) was identified as a promising candidate with high affinity to native Tau tangles (IC50 = 2.80 nM), few appreciable binding to Aβ plaques and MAO-A/B. Validated by dynamic positron emission tomography (PET) imaging in rodents and rhesus monkey, [18F]13 displayed desirable brain uptake (SUV = 1.75

  Tau 积累是阿尔茨海默病体内诊断的主要神经病理学生物标志物之一，因为它与疾病进展高度相关。在本研究中，我们重点研究氮杂稠合三环核心咪唑并[1,2-h][1,7]萘啶的取代基效应的构效关系，筛选18个F标记的Tau示踪剂。通过一系列放射自显影研究和生物学评估，4-[ 18 F]氟苯基取代的示踪剂 [ 18 F] 13 ([ 18 F] FPND-4 ) 被确定为对天然 Tau 缠结具有高亲和力的有前途的候选物 (IC 50 = 2.80 nM)，与 Aβ 斑块和 MAO-A/B 的结合很少。通过啮齿动物和恒河猴的动态正电子发射断层扫描 (PET) 成像验证，[ 18 F] 13显示出理想的大脑摄取（2 分钟时 SUV = 1.75）、快速清除（大脑2 分钟/60 分钟= 5.9）、最少的脱氟和很少的脱靶结合，满足 Tau 特异性 PET 放射性示踪剂的要求。
• Novel Photosensitive Resin Compositions
  申请人：Naiini Ahmad A.

  公开号：US20090111050A1

  公开（公告）日：2009-04-30

  This disclosure relates to compositions that include (a) at least one polybenzoxazole precursor polymer; and (b) at least one silicon-containing polymer comprising a moiety of Structure (V): in which R 5 , R 7 , Ar 5 , m 1 , and m 2 are defined in the specification.