4-(nicotinamido)benzoic acid | 5768-40-1

• 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: 4-(nicotinamido)benzoic acid
• 英文别名: 4-nicotinoylamino-benzoic acid；4-Nicotinoylamino-benzoesaeure；4-[(3-Pyridinylcarbonyl)amino]benzoic acid；3-(p-Carboxy-phenyl-carbamoyl)-pyridin；p-Nicotinoylaminobenzoesaeure；Benzoic acid, 4-((3-pyridinylcarbonyl)amino)-；4-(pyridine-3-carbonylamino)benzoic acid
• CAS: 5768-40-1
• 化学式: C₁₃H₁₀N₂O₃
• mdl: MFCD00439141
• 分子量: 242.234
• InChiKey: LWFBUVHQVCTCKN-UHFFFAOYSA-N

物化性质

• 溶解度：
  8.26e-04 M

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.3
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  4-(nicotinamido)benzoic acid 在 氯化亚砜 、 氨 作用下， 生成 N-(4-carbamoylphenyl)nicotinamide
  参考文献：
  名称：

  QSAR study on antibacterial activity of sulphonamides and derived Mannich bases

  摘要：

  The paper describes synthesis and comparative study on antibacterial activities of sulphonamides and Mannich bases derived from them. The compounds were screened for their antibacterial activity against various gram-positive and gram-negative bacteria and were analyzed statistically. The results have shown that the compounds are quiet active against pathogens under study and were nontoxic. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.017
• 作为产物：
  描述：

  N-(p-tolyl)nicotinamide 在 potassium permanganate 、 magnesium sulfate 作用下， 生成 4-(nicotinamido)benzoic acid
  参考文献：
  名称：

  Masower, Zhurnal Obshchei Khimii, 1949, vol. 19, p. 356; engl. Ausg. S. 317

  摘要：

  DOI：

文献信息

• Coordination polymers derived from pyridyl carboxylate ligands having an amide backbone: an attempt towards the selective separation of Cu^II cation following in situ crystallization under competitive conditions
  作者：Mithun Paul、Parthasarathi Dastidar

  DOI：10.1039/c4ce00733f

  日期：——

  A series of coordination polymers (CPs) derived from pyridyl carboxylate ligands equipped with a hydrogen bonding backbone (amide), namely L1 [sodium 4-(nicotinamido) benzoate] and L2 [sodium 3-(nicotinamido) benzoate], has been synthesized and characterized by single crystal X-ray diffraction. The effect of the ligating topology of these two positional isomers (L1 and L2) on the resultant supramolecular

  合成了一系列配位吡啶聚合物配体，这些配体配有氢键合主链（酰胺），即L1 [4-（烟酰胺基）苯甲酸钠]和L2 [3- [烟酰胺基]苯甲酸钠]。通过单晶X射线衍射表征。研究了这两个位置异构体（L1和L2）的连接拓扑对相应CP的超分子结构的影响。结果表明，大多数CP都显示一维环形链拓扑。按照原位结晶技术，尝试分离对环境有毒的金属阳离子Cu II使用两种配体从阳离子（Cu II，Zn II和Co II）的复杂混合物中以相应的Cu II CP的形式存在，而L1不成功，L2确实可以分离Cu II阳离子。研究了吡啶基和羧酸根部分对阳离子选择性分离的配位能力。结果表明，Cu II的选择性分离遵循Irving–Williams系列。原子吸收光谱法表明，该技术可以分离出约97％的Cu II。
• Tricyclic benzazepine vasopressin antagonists
  申请人：American Cyanamid Company

  公开号：US05693635A1

  公开（公告）日：1997-12-02

  Tricyclic compounds of the general Formula I: ##STR1## as defined herein which exhibit antagonist activity at V.sub.1 and/or V.sub.2 receptors and exhibit in vivo vasopressin antagonist activity, methods for using such compounds in treating diseases characterized by excess renal reabsorption of water, and processes for preparing such compounds.

  一般式I的三环化合物：##STR1##在此定义下表现出V.sub.1和/或V.sub.2受体的拮抗活性，并在体内表现出抗利尿激素拮抗活性，使用这种化合物治疗由于肾脏过度重吸收水而导致的疾病的方法，以及制备这种化合物的方法。
• Pyridobenzoxazepine and pyridobenzothiazepine vasopressin antagonists
  申请人：American Cyanamid Company

  公开号：US05686445A1

  公开（公告）日：1997-11-11

  Tricyclic compounds of the general Formula I: ##STR1## as defined herein which exhibit antagonist activity at V.sub.1 and/or V.sub.2 receptors and exhibit in vivo vasopressin antagonist activity, methods for using such compounds in treating diseases characterized by excess renal reabsorption of water, and processes for preparing such compounds.

  一般式I的三环化合物：##STR1##在此定义下，表现出对V.sub.1和/或V.sub.2受体的拮抗活性，并在体内表现出抗利尿激素拮抗活性。本发明提供使用此类化合物治疗由肾水过度重吸收所特征的疾病的方法，并提供制备此类化合物的方法。
• Tricyclic Benzazepine vasopressin antagonists
  申请人：American Cyanamid Company

  公开号：US05736538A1

  公开（公告）日：1998-04-07

  Tricyclic compounds of the general Formula I: ##STR1## as defined herein which exhibit antagonist activity at V.sub.1 and/or V.sub.2 receptors and exhibit in vivo vasopressin antagonist activity, methods for using such compounds in treating diseases characterized by excess renal reabsorption of water, and processes for preparing such compounds.

  本发明涉及一般式I的三环化合物：##STR1##在此定义中表现出V.sub.1和/或V.sub.2受体的拮抗活性，并在体内表现出抗利尿激素拮抗活性，使用这种化合物治疗由水的过度肾重吸收所特征的疾病的方法，以及制备这种化合物的过程。
• EXPERIMENTAL CHEMOTHERAPY OF TUBERCULOSIS. I. SUBSTITUTED NICOTINAMIDES
  作者：S. KUSHNER、HARRY DALALIAN、ROBERT T. CASSELL、J. L. SANJURJO、D. McKENZIE、Y. SUBBAROW

  DOI：10.1021/jo01164a008

  日期：1948.11