2-苯基氨基烟酸甲酯 | 51269-84-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2-苯基氨基烟酸甲酯
• 英文名称: methyl 2-anilinonicotinate
• 英文别名: methyl 2-phenylamino-nicotinate；Methyl 2-anilinopyridine-3-carboxylate
• CAS: 51269-84-2
• 化学式: C₁₃H₁₂N₂O₂
• 分子量: 228.25
• InChiKey: XTQQEFBWUFUXSZ-UHFFFAOYSA-N

物化性质

• 沸点：
  158-162 °C(Press: 0.5 Torr)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 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：

  2-苯基氨基烟酸甲酯 在 potassium tert-butylate 作用下， 以 xylene 为溶剂， 反应 24.0h， 生成 4-Hydroxy-3-pentyl-1-phenyl-1H-[1,8]naphthyridin-2-one
  参考文献：
  名称：

  Antiallergy agents. 1. Substituted 1,8-naphthyridin-2(1H)-ones as inhibitors of SRS-A release

  摘要：

  A novel class of antiallergy agents, the substituted 1,8-naphthyridin-2(1H)-ones, is described. The present compounds are orally active, potent inhibitors of allergic and nonallergic bronchospasm in animal models. Structure-activity studies of the lead compound in this series, 1-phenyl-3-n-butyl-4-hydroxynaphthyridin-2(1H)-one (11), identified three compounds of interest, 1-phenyl-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H)-one (12), 1-(3'-chlorophenyl)-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H )-one (87), and 1-(3'-methoxyphenyl)-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1 H)-one (89). The mechanism of antiallergy activity may involve inhibition of the release of the sulfidopeptide leukotrienes. 1-Phenyl-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H)-one, Sch 33303 (12), was selected for preclinical development as an antiallergy agent.

  DOI：

  10.1021/jm00119a010
• 作为产物：
  描述：

  苯胺 在 对甲苯磺酸 、 氯乙腈 、 三乙胺 作用下， 以 水 、 丙酮 为溶剂， 反应 48.0h， 生成 2-苯基氨基烟酸甲酯
  参考文献：
  名称：

  PYRIDOPYRIMIDINONE INHIBITORS OF KINASES

  摘要：

  本发明涉及式(I)化合物或药理可接受的盐，其中R1、R2、R3、R4和B在描述中定义。本发明还涉及包含所述化合物的组合物，这些化合物可用于抑制诸如wee-1的激酶，以及治疗诸如癌症疾病的方法。

  公开号：

  US20130225589A1

文献信息

• Zwitterionic 1,8-naphthyridine and pyrazino[2,3-b]pyridine containing
  申请人：Schering Corporation

  公开号：US04684727A1

  公开（公告）日：1987-08-04

  Zwitterionic bicyclic compounds are disclosed which are useful as anti-allergic, anti-inflammatory and/or cytoprotective agents. Pharmaceutical compositions and methods of treatment employing such compounds are also disclosed.

  双环两性化合物被披露，这些化合物可用作抗过敏、抗炎和/或细胞保护剂。还披露了使用这些化合物的药物组合物和治疗方法。
• Anti-allergic composition containing zwitterionic bicyclic compounds
  申请人：Schering Corporation

  公开号：US04782067A1

  公开（公告）日：1988-11-01

  Zwitterionic bicyclic compounds are disclosed which are useful as anti-allergic, anti-inflammatory and/or cytoprotective agents and in the treatment of hyperproliferative skin disease. Pharmaceutical compositions and methods of treatment employing such compounds are also disclosed.

  这里披露了一种两性双环化合物，它可用作抗过敏、抗炎和/或细胞保护剂，并用于治疗增生性皮肤病。还披露了使用该化合物的药物组合物和治疗方法。
• Anti-allergic esters, acetal ethers, thioethers and nitrogen substituted
  申请人：Schering Corporation

  公开号：US04794116A1

  公开（公告）日：1988-12-27

  Esters, acetal ethers, thioethers and nitrogen substituted derivatives of certain bicyclic compounds are disclosed which are useful as anti-allergic, anti-inflammatory and/or cytoprotective agents and in treatment of hyperproliferative skin disease. Pharmaceutical compositions and methods of treatment employing such compounds are also disclosed.

  酯、缩醛醚、硫醚和某些双环化合物的氮取代衍生物被披露，这些化合物可用作抗过敏、抗炎和/或细胞保护剂，并用于治疗过度增殖性皮肤病。还披露了使用这些化合物的药物组合物和治疗方法。
• TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES
  申请人：Arizona Board of Regents on behalf of Arizona State University

  公开号：US20160359125A1

  公开（公告）日：2016-12-08

  Tetradentate and octahedral metal complexes suitable for use as phosphorescent or delayed fluorescent and phosphorescent emitters in display and lighting applications.

  四齿和八面体金属配合物，适用于显示和照明应用中的磷光或延迟荧光和磷光发射体。
• Tricyclic anti-allergy and use as anti-inflammatory agents
  申请人：Schering Corporation

  公开号：US04680298A1

  公开（公告）日：1987-07-14

  Substituted quinoline, [1,5]- and [1,8]-naphthyridine and pyrido[2,3-b]pyrazine derivatives are anti-allergic, anti-inflammatory and cytoprotective agents. Methods for their preparation and use are disclosed.

  取代喹啉、[1,5]-和[1,8]-萘啶以及吡啶并[2,3-b]吡嗪衍生物是抗过敏、抗炎和细胞保护剂。其制备和使用方法已被披露。