N-ethyl-4'-fluoro-4-methylbiphenyl-3-amine | 1190222-16-2

• 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: N-ethyl-4'-fluoro-4-methylbiphenyl-3-amine
• 英文别名: N-ethyl-5-(4-fluorophenyl)-2-methylaniline
• CAS: 1190222-16-2
• 化学式: C₁₅H₁₆FN
• 分子量: 229.297
• InChiKey: QLAFMUQAMGIYAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-ethyl-4'-fluoro-4-methylbiphenyl-3-amine 、 [(2-{[4-chloro-2-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)sulfanyl]acetic acid 以to give 5-chloro-2-([((2-[ethyl(4′-fluoro-4-methylbiphenyl-3-yl)amino]-2-oxoethyl)sulfanyl)acetyl]amino)benzoic acid的产率得到5-chloro-2-([((2-[ethyl(4’-fluoro-4-methylbiphenyl-3-yl)amino]-2-oxoethyl)sulfanyl)acetyl]amino)benzoic acid
  参考文献：
  名称：

  Inhibitor of plasminogen activator inhibitor-1

  摘要：

  本发明涉及一种具有血浆纤溶酶原激活因子抑制剂-1（PAI-1）抑制活性的新化合物，以及包含该化合物作为活性成分的PAI-1抑制剂。本发明还涉及一种具有抑制PAI-1活性的药物组合物，可用于预防和治疗各种与PAI-1活性相关的疾病。该新化合物由以下通式表示，其中每个符号的定义如说明书中所述。

  公开号：

  US08415479B2

文献信息

• Identification of novel plasminogen activator inhibitor-1 inhibitors with improved oral bioavailability: Structure optimization of N-acylanthranilic acid derivatives
  作者：Nagahisa Yamaoka、Kenji Murano、Hidehiko Kodama、Akihisa Maeda、Takashi Dan、Tetsuo Nakabayashi、Toshio Miyata、Kanji Meguro

  DOI：10.1016/j.bmcl.2017.11.016

  日期：2018.2

  compounds in which 5-chloroanthranilic acid was bound to a variety of highly lipophilic moieties with appropriate linkers was investigated. As the result it appeared that some of the derivatives possessing aryl- or heteroaryl-substituted phenyl groups in the acyl chain had potent in vitro PAI-1 inhibitory activity. Oral absorbability of typical compounds was also evaluated in rats, and compounds 40,

  通过对N-酰基-5-氯邻氨基苯甲酸衍生物的结构-活性关系研究发现了新型的具有显着改善的口服生物利用度的纤溶酶原激活物抑制剂-1（PAI-1）抑制剂。由于亲脂性N-酰基对于邻氨基苯甲酸衍生物强烈抑制PAI-1似乎很重要，因此研究了其中5-氯邻氨基苯甲酸与各种具有适当连接基的高度亲脂性部分结合的化合物的合成。结果表明，某些在酰基链上具有被芳基或杂芳基取代的苯基的衍生物具有有效的体外PAI-1抑制活性。还评估了大鼠中典型化合物的口服吸收能力，化合物40，55，60和76被选择具有相互不同的化学结构，用于进一步药理评价。
• INHIBITOR OF PLASMINOGEN ACTIVATOR INHIBITOR-1
  申请人：Miyata Toshio

  公开号：US20110112140A1

  公开（公告）日：2011-05-12

  The present invention relates to a novel compound having plasminogen activator inhibitor-1 (PAI-1) inhibitory activity, and a PAI-1 inhibitor comprising the compound as an active ingredient. The present invention further relates to a pharmaceutical composition that has an inhibitory action on PAI-1 activity and is useful in the prevention and treatment of various diseases whose onset is associated with PAI-1 activity. The novel compound is represented by the following general formula. Each symbol is defined as those in the specification.

  本发明涉及一种具有纤溶酶原激活因子抑制剂-1（PAI-1）抑制活性的新化合物，以及以该化合物为活性成分的PAI-1抑制剂。本发明还涉及一种具有抑制PAI-1活性并在预防和治疗与PAI-1活性相关的各种疾病方面有用的药物组合物。新化合物由以下一般公式表示，其中每个符号如规范中所定义。
• US8415479B2
  申请人：——

  公开号：US8415479B2

  公开（公告）日：2013-04-09
• Inhibitor of plasminogen activator inhibitor-1
  申请人：Miyata Toshio

  公开号：US08415479B2

  公开（公告）日：2013-04-09

  The present invention relates to a novel compound having plasminogen activator inhibitor-1 (PAI-1) inhibitory activity, and a PAI-1 inhibitor comprising the compound as an active ingredient. The present invention further relates to a pharmaceutical composition that has an inhibitory action on PAI-1 activity and is useful in the prevention and treatment of various diseases whose onset is associated with PAI-1 activity. The novel compound is represented by the following general formula. Each symbol is defined as those in the specification.

  本发明涉及一种具有血浆纤溶酶原激活因子抑制剂-1（PAI-1）抑制活性的新化合物，以及包含该化合物作为活性成分的PAI-1抑制剂。本发明还涉及一种具有抑制PAI-1活性的药物组合物，可用于预防和治疗各种与PAI-1活性相关的疾病。该新化合物由以下通式表示，其中每个符号的定义如说明书中所述。