methyl-3-(phenylamino)isonicotinate | 115891-56-0

• 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
• 英文名称: methyl-3-(phenylamino)isonicotinate
• 英文别名: Methyl 3-anilinopyridine-4-carboxylate
• CAS: 115891-56-0
• 化学式: C₁₃H₁₂N₂O₂
• 分子量: 228.25
• InChiKey: OJOHFSRUJABFQM-UHFFFAOYSA-N

物化性质

• 沸点：
  168-170 °C(Press: 0.15 Torr)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 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

反应信息

• 作为反应物：
  描述：

  methyl-3-(phenylamino)isonicotinate 在 lithium hydroxide monohydrate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 N-(2-((2R)-2-cyano-4,4-difluorocyclopentyl)-2-oxoethyl)-3-(phenylamino)isonicotinamide
  参考文献：
  名称：

  INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN

  摘要：

  描述了用于调节成纤维细胞活化蛋白（FAP）的化合物和组合物。这些化合物和组合物可能被用作治疗疾病的治疗剂，包括高增殖性疾病。

  公开号：

  US20190185451A1
• 作为产物：
  描述：

  在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 6.0h， 以99%的产率得到methyl-3-(phenylamino)isonicotinate
  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

文献信息

• 3-Arylamino pyridine derivatives
  申请人：Abel Ulricn

  公开号：US20090093462A1

  公开（公告）日：2009-04-09

  The invention provides novel, substituted 3-arylamino pyridine compounds (I) pharmaceutically acceptable salts, solvates and prodrug compounds thereof, wherein W, R1, R2, R9, R10, R11, R12, R13, R14 are as defined in the specification. Such compounds are MEK inhibitors and useful in the treatment of hyperproliferative diseases, such as cancer, restenosis and inflammation. Also disclosed is the use of such compounds in the treatment of hyperproliferative diseases in mammals, especially humans, and pharmaceutical compositions containing such compounds.

  本发明提供了新型的取代的3-芳基氨基吡啶化合物(I)，其药学上可接受的盐、溶剂和前药化合物，其中W、R1、R2、R9、R10、R11、R12、R13、R14如规范中所定义。这些化合物是MEK抑制剂，可用于治疗高增殖性疾病，如癌症、再狭窄和炎症。本发明还揭示了在哺乳动物，特别是人类中治疗高增殖性疾病的这些化合物的用途，以及包含这些化合物的制药组合物。
• 3-Arylamino Pyridine Derivatives
  申请人：Abel Ulrich

  公开号：US20110224192A1

  公开（公告）日：2011-09-15

  The invention provides novel, substituted 3-arylamino pyridine compounds pharmaceutically acceptable salts, solvates and prodrug compounds thereof, wherein W, R1, R2, R9, R10, R11, R12, R13, R14 are as defined in the specification. Such compounds are MEK inhibitors and useful in the treatment of hyperproliferative diseases, such as cancer, restenosis and inflammation. Also disclosed is the use of such compounds in the treatment of hyperproliferative diseases in mammals, especially humans, and pharmaceutical compositions containing such compounds.

  该发明提供了新型的取代的3-芳基氨基吡啶化合物及其药学上可接受的盐、溶剂化物和前药化合物，其中W、R1、R2、R9、R10、R11、R12、R13、R14在说明书中有定义。这些化合物是MEK抑制剂，可用于治疗过度增殖性疾病，如癌症、再狭窄和炎症。还公开了在哺乳动物，特别是人类中治疗过度增殖性疾病的使用以及含有这些化合物的制药组合物。
• SHERLOCK, MARGARET H.;KAMINSKI, JAMES J.;TOM, WING C.;LEE, JOE F.;WONG, S+, J. MED. CHEM., 31,(1988) N 11, C. 2108-2121
  作者：SHERLOCK, MARGARET H.、KAMINSKI, JAMES J.、TOM, WING C.、LEE, JOE F.、WONG, S+

  DOI：——

  日期：——
• 3-ARYLAMINO PYRIDINE DERIVATIVES
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1802579A1

  公开（公告）日：2007-07-04
• Derivatives of 3-arylaminopyridine
  申请人：Merck Serono SA

  公开号：EP1802579B1

  公开（公告）日：2013-11-20