间氟苯胺盐酸盐 | 1993-09-5

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯胺系列
• 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: 间氟苯胺盐酸盐
• 中文别名: 3-氟苯胺盐酸盐
• 英文名称: 3-fluoroaniline hydrochloride
• 英文别名: 3-Fluorophenylamine hydrochloride；3-fluoroaniline;hydrochloride
• CAS: 1993-09-5
• 化学式: C₆H₆FN*ClH
• 分子量: 147.58
• InChiKey: MNMXMPLRBXECRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.83
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2921420090

反应信息

• 作为反应物：
  描述：

  间氟苯胺盐酸盐 在 亚硝酸特丁酯 作用下， 以 乙腈 为溶剂， 反应 0.17h， 生成 3-fluorophenyldiazonium chloride
  参考文献：
  名称：

  Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines

  摘要：

  基于1,2,4-三唑和吡啶并[1,2-c]嘧啶支架的重要杂环建筑块的高效流动合成已经实现。

  DOI：

  10.1039/c5ob00245a
• 作为产物：
  描述：

  3-氟苯胺 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 间氟苯胺盐酸盐
  参考文献：
  名称：

  WO2007/11810

  摘要：

  公开号：
• 作为试剂：
  描述：

  3-氧代-3-苯基丙酰胺 在 间氟苯胺盐酸盐 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 二苯醚 、 甲苯 为溶剂， 反应 1.0h， 生成 (1R,2S)-1-{[(2S,4R)-1-((S)-2-tert-Butoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-fluoro-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid methyl ester
  参考文献：
  名称：

  A Systematic Approach to the Optimization of Substrate-Based Inhibitors of the Hepatitis C Virus NS3 Protease:  Discovery of Potent and Specific Tripeptide Inhibitors

  摘要：

  The inadequate efficacy and tolerability of current therapies for the infectious liver disease caused by the hepatitis C virus have warranted significant efforts in the development of new therapeutics. We have previously reported competitive peptide inhibitors of the NS3 serine protease based on the N-terminal cleavage products of peptide substrates. A detailed study of the interactions of these substrate-based inhibitors with the different subsites of the serine protease active site led to the discovery of novel residues that increased the affinity of the inhibitors. In this paper, we report the combination of the best binding residues in a tetrapeptide series that resulted in extremely potent inhibitors that bind exquisitely well to this enzyme. A substantial increase in potency was obtained with the simultaneous introduction of a 7-methoxy-2-phenyl-4-quinolinoxy moiety at the gamma-position of the P2 proline and a tert-leucine as a P3 residue. The increase in potency allowed for the further truncation and led to the identification of tripeptide inhibitors. Structure activity relationship studies on this inhibitor series led to the identification of carbamate-containing tripeptides that are able to inhibit replication of subgenomic HCV RNA in cell culture with potencies below 1 muM. This inhibitor series has the potential of becoming antiviral agents for the treatment of HCV infections.

  DOI：

  10.1021/jm0494523

文献信息

• Potassium channel openers
  申请人：Abbott Laboratories

  公开号：US06645968B2

  公开（公告）日：2003-11-11

  Compounds of formula I: are useful in treating diseases prevented by or ameliorated with potassium channel openers. Also disclosed are potassium channel opening compositions and a method of opening potassium channels in a mammal.

  公式I的化合物： 在预防或用钾通道开放剂改善的疾病治疗中有用。还公开了钾通道开放组合物和一种在哺乳动物中开放钾通道的方法。
• An Environmentally Benign, Catalyst‐Free N−C Bond Cleavage/Formation of Primary, Secondary, and Tertiary Unactivated Amides
  作者：Vishal Kumar、Sanjeev Dhawan、Pankaj Sanjay Girase、Parvesh Singh、Rajshekhar Karpoormath

  DOI：10.1002/ejoc.202101114

  日期：2021.11.8

  An unprecedented methodology for the synthesis of a variety of organic amides through the coupling of wide range of unactivated primary, secondary, and tertiary diversified amides, with different amines is reported. The acid-promoted reaction is proposed to proceed through carbonyl activation and is accompanied by broad substrate scope with high tolerance for functional groups.

  报道了一种通过将各种未活化的伯、仲和叔多样化酰胺与不同胺偶联来合成各种有机酰胺的前所未有的方法。酸促进反应被提议通过羰基活化进行，并且伴随着广泛的底物范围和对官能团的高耐受性。
• Superagonist, Full Agonist, Partial Agonist, and Antagonist Actions of Arylguanidines at 5-Hydroxytryptamine-3 (5-HT₃) Subunit A Receptors
  作者：Katie Alix、Shailesh Khatri、Philip D. Mosier、Samantha Casterlow、Dong Yan、Heather L. Nyce、Michael M. White、Marvin K. Schulte、Małgorzata Dukat

  DOI：10.1021/acschemneuro.6b00196

  日期：2016.11.16

  (5-HT3) receptor ligands resulted in a broad spectrum of functionally-active ligands from antagonist to superagonist. For example, (i) introduction of an additional Cl-substituent(s) to our lead full agonist N-(3-chlorophenyl)guanidine (mCPG, 2; efficacy % = 106) yielded superagonists 7–9 (efficacy % = 186, 139, and 129, respectively), (ii) a positional isomer of 2, p-Cl analog 11, displayed partial agonist

  对芳基胍基5-羟基色胺3（5-HT 3）受体配体的取代模式进行微小变化的引入导致了从拮抗剂到超激动剂的各种各样的功能活性配体。例如，（ⅰ）引入附加氯取代基（一个或多个），以提供引线完全激动剂的ñ - （3-氯苯基）胍（米CPG，2 ;功效（％）= 106），得到超级激动剂7 - 9（效力（％）= 186 （分别为139和129），（ii）2的位置异构体，p -Cl类似物11，表现出部分激动剂作用（功效％= 12），以及（iii）在间位取代卤素原子或对位具有给电子OCH位置3基团或更强的吸电子（即，CF 3）基团导致拮抗剂13 - 16。我们结合诱变，晶体学和计算分析得出结论，对于5-HT 3受体，芳基胍能更好地同时与一级亚基和互补亚基结合，从而使它们紧密接近，而具有更高的激动剂特性。缺乏这种能力的是拮抗剂。
• [EN] DIAMINOPYRIMIDINES USEFUL AS INHIBITORS OF THE HUMAN RESPIRATORY SYNCYTIAL VIRUS (RSV)<br/>[FR] DIAMINOPYRIMIDINES UTILISÉES EN TANT QU'INHIBITEURS DU VIRUS SYNCYTIAL RESPIRATOIRE (VSR) DE L'HOMME
  申请人：ABBVIE INC

  公开号：WO2013123401A1

  公开（公告）日：2013-08-22

  This disclosure relates to: (a) compounds and salts thereof that, inter alia, inhibit RSV infection and/or replication; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such intermediates, compounds, salts, and compositions; (e) methods of use of such compounds, salts, and compositions; and (f) kits comprising such compounds, salts, and compositions.

  这项披露涉及：(a) 抑制RSV感染和/或复制的化合物及其盐，以及其他内容；(b) 用于制备这种化合物和盐的中间体；(c) 包含这种化合物和盐的组合物；(d) 制备这种中间体、化合物、盐和组合物的方法；(e) 使用这种化合物、盐和组合物的方法；以及(f) 包含这种化合物、盐和组合物的试剂盒。
• Seven-Membered Azabridged Neonicotinoids: Synthesis, Crystal Structure, Insecticidal Assay, and Molecular Docking Studies
  作者：Renbo Xu、Ming Luo、Rui Xia、Xiaoqing Meng、Xiaoyong Xu、Zhiping Xu、Jiagao Cheng、Xusheng Shao、Houju Li、Zhong Li

  DOI：10.1021/jf504014y

  日期：2014.11.19

  To study the influence of the ring sizes, 37 novel seven-membered azabridged neonicotinoid analogues were synthesized by reactions of nitromethylene analogues, succinaldehyde, and aniline hydrochlorides. Most of the title compounds presented higher insecticidal activities than that of imidacloprid (IMI), cycloxaprid (CYC), and eight-membered compounds against cowpea aphid (Aphis craccivora), armyworm

  为了研究环尺寸的影响，通过硝基亚甲基类似物，琥珀醛和苯胺盐酸盐的反应合成了37个新颖的七元氮杂桥连新烟碱类似物。大多数标题化合物的杀虫活性均高于吡虫啉（IMI），环磷酰胺（CYC）和八元化合物对against豆蚜虫（Aphis craccivora），粘虫（Pseudaletia separata Walker）和褐飞虱（Nilaparvata lugens）的杀虫活性。），这表明引入七元氮杂桥的结构可以显着提高新烟碱类似物的杀虫活性。对接研究和结合模式分析还表明，将甲基引入苯环的2位可以增加与受体的疏水性相互作用，这暗示2位可能是获得高杀虫化合物的关键部位。