3'-carboxamido-4-nitro-biphenyl | 188665-78-3

• 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'-carboxamido-4-nitro-biphenyl
• 英文别名: 4'-nitrobiphenyl-3-carboxamide；3-(4-Nitrophenyl)benzamide
• CAS: 188665-78-3
• 化学式: C₁₃H₁₀N₂O₃
• 分子量: 242.234
• InChiKey: MBPCOTANORRIPC-UHFFFAOYSA-N

物化性质

• 沸点：
  453.5±28.0 °C(Predicted)
• 密度：
  1.307±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 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：
  88.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3'-carboxamido-4-nitro-biphenyl 在 吡啶 、 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 15.0h， 生成 4'-(6-methoxynaphthalene-2-sulfonamido)biphenyl-3-carboxamide
  参考文献：
  名称：

  Synthesis and evaluation of non-basic inhibitors of urokinase-type plasminogen activator (uPA)

  摘要：

  Recent drug discovery programs targeting urokinase plasminogen activator (uPA) have resulted in non-peptidic inhibitors consisting of amidine or guanidine functional groups attached to aromatic or heteroaromatic scaffolds. There is a general problem of poor oral bioavailability of these charged inhibitors. In this paper, we report the synthesis and evaluation of a series of naphthamide and naphthalene sulfonamides as uPA inhibitors containing non-basic groups as substitute for amidine or guanidine groups. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.12.040
• 作为产物：
  描述：

  4-硝基联苯-3-羧酸 在 氯化亚砜 、 氨 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 24.0h， 生成 3'-carboxamido-4-nitro-biphenyl
  参考文献：
  名称：

  Synthesis and evaluation of non-basic inhibitors of urokinase-type plasminogen activator (uPA)

  摘要：

  Recent drug discovery programs targeting urokinase plasminogen activator (uPA) have resulted in non-peptidic inhibitors consisting of amidine or guanidine functional groups attached to aromatic or heteroaromatic scaffolds. There is a general problem of poor oral bioavailability of these charged inhibitors. In this paper, we report the synthesis and evaluation of a series of naphthamide and naphthalene sulfonamides as uPA inhibitors containing non-basic groups as substitute for amidine or guanidine groups. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.12.040

文献信息

• [EN] COMPOUNDS FOR TREATING TUBERCULOSIS<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE LA TUBERCULOSE
  申请人：UNIV NANYANG TECH

  公开号：WO2018151681A1

  公开（公告）日：2018-08-23

  The present invention relates to pyrimidine compounds and compositions for treating tuberculosis. These compounds may be used to target the F1 domain of F-ATP synthase and may be used with bedaquiline or 6-chloro-2-ethyl-N-[[4-[4- [4-(trifluoromethoxy)phenyl]piperidin-1 -yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (Q203) or a combination thereof.

  本发明涉及嘧啶化合物和用于治疗结核病的组合物。这些化合物可用于靶向F-ATP合成酶的F1结构域，并可与贝达昆林或6-氯-2-乙基-N-[[4-[4- [4-(三氟甲氧基)苯基]哌啶-1-基]苯基]甲基]咪唑[1,2-a]吡啶-3-羧酰胺（Q203）或二者的组合物一起使用。
• Biaryl derived amide modulators of vanilloid VR1 receptor
  申请人：Codd Ellen

  公开号：US20060223837A1

  公开（公告）日：2006-10-05

  The invention is directed to novel vanilloid receptor type 1 (VR1) ligands. More specifically, the invention relates to novel biaryl-derived amides that are potent antagonists or agonists of VR1. Pharmaceutical and veterinary compositions and methods of treating mild to severe pain and various diseases using compounds of the invention are also described.

  该发明涉及新型辣椒素受体类型1（VR1）配体。更具体地，该发明涉及新型联苯基衍生酰胺，这些酰胺是VR1的有效拮抗剂或激动剂。还描述了利用该发明化合物治疗轻度至严重疼痛和各种疾病的药物和兽医组合物以及治疗方法。
• [EN] HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1<br/>[FR] AMIDES HÉTÉROCYCLIQUES EN TANT QUE MODULATEURS DE LA TRPA1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2010141805A1

  公开（公告）日：2010-12-09

  Certain heterocyclic amide compounds are described. The compounds may be used in pharmaceutical compositions and methods for treating disease states, disorders, and conditions mediated by TRPA1 activity, such as pain, arthritis, itch, cough, asthma, or inflammatory bowel disease.

  描述了某些杂环酰胺化合物。这些化合物可用于制备药物组合物，以及用于治疗由TRPA1活性介导的疾病状态、紊乱和条件，如疼痛、关节炎、瘙痒、咳嗽、哮喘或炎症性肠病的方法。
• A new approach to the solid-phase Suzuki coupling reaction
  作者：Serge R. Piettre、Sylvie Baltzer

  DOI：10.1016/s0040-4039(97)00063-4

  日期：1997.2

  Treatment of polymer-bound aryl halides with pinacol ester of diboron under palladium (0) catalysis gave the corresponding polymer-bound boronates. The Suzuki coupling reaction was then carried out using a variety of aryl halides. Cleavage from the solid support delivered the expected products in usually good yields and high purity.

  在钯（0）催化下，用乙硼酸频哪醇酯处理与聚合物结合的芳基卤化物，得到相应的与聚合物结合的硼酸酯。然后使用多种芳基卤化物进行Suzuki偶联反应。从固相支持物上的裂解通常以良好的收率和高纯度提供了预期的产物。
• Aryldiazonium Tetrafluoroborate Salts as Green and Efficient Coupling Partners for the Suzuki–Miyaura Reaction: From Optimisation to Mole Scale
  作者：Aymeric P. Colleville、Richard A. J. Horan、Nicholas C. O. Tomkinson

  DOI：10.1021/op5002353

  日期：2014.9.19

  The use of aryldiazonium tetrafluoroborate salts as coupling partners in the Suzuki-Miyaura reaction was investigated from a process chemistry perspective including safety evaluation, solvent and catalyst screening and multivariate factor optimisation. Optimised conditions were applied to a range of substrates to evaluate the scope and limitations of the reaction, and one example was carried out on mole scale to demonstrate the practicality and scalability of the process.