2-amino-5-chloro-N-(5-methylpyridin-2-yl)benzamide | 280772-02-3

• 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: 2-amino-5-chloro-N-(5-methylpyridin-2-yl)benzamide
• CAS: 280772-02-3
• 化学式: C₁₃H₁₂ClN₃O
• mdl: MFCD11128398
• 分子量: 261.711
• InChiKey: QYKFETRVZIAFNJ-UHFFFAOYSA-N

物化性质

• 沸点：
  389.2±42.0 °C(Predicted)
• 密度：
  1.362±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  68
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-amino-5-chloro-N-(5-methylpyridin-2-yl)benzamide 、 对氰基苯甲酰氯 以 四氢呋喃 为溶剂， 生成 5-chloro-2-[(4-cyanobenzoyl)amino]-N-(5-methylpyridin-2-yl)benzamide
  参考文献：
  名称：

  Discovery of betrixaban (PRT054021), N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-methoxybenzamide, a highly potent, selective, and orally efficacious factor Xa inhibitor

  摘要：

  Systematic SAR studies of in vitro factor Xa inhibitory activity around compound 1 were performed by modifying each of the three phenyl rings. A class of highly potent, selective, efficacious and orally bioavailable direct factor Xa inhibitors was discovered. These compounds were screened in hERG binding assays to examine the effects of substitution groups on the hERG channel affinity. From the leading compounds, betrixaban (compound 11, PRT054021) has been selected as the clinical candidate for development. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.111
• 作为产物：
  描述：

  5-chloro-N-(5-methylpyridin-2-yl)-2-nitrobenzamide 生成 2-amino-5-chloro-N-(5-methylpyridin-2-yl)benzamide
  参考文献：
  名称：

  Aromatic amides

  摘要：

  本申请涉及式I化合物（或其药用可接受的盐），如本文所述，其药物组合物，及其作为因子Xa抑制剂的用途，以及其制备过程和中间体。

  公开号：

  US06635657B1

文献信息

• Substituted heterocyclic amides
  申请人：——

  公开号：US20040097491A1

  公开（公告）日：2004-05-20

  This application relates to a compound of formula (I) (or a pharmaceutically acceptable salt thereof) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa, as well as a process for its preparation and intermediates therefor.

  该申请涉及到式（I）的化合物（或其药用可接受的盐），如本文所定义，其药物组成，以及其作为因子Xa抑制剂的用途，以及其制备方法和中间体。
• [EN] AROMATIC AMIDES<br/>[FR] AMIDES AROMATIQUES
  申请人：LILLY CO ELI

  公开号：WO2000039118A1

  公开（公告）日：2000-07-06

  This application relates to a compound of formula I (or a pharmaceutically acceptable salt thereof) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa, as well as a process for its preparation and intermediates therefor.

  本申请涉及公式 I 的化合物（或其药学上可接受的盐），其制药组合物以及其作为因子 Xa 抑制剂的用途，以及其制备过程和中间体。
• Substituted heterocyclic carboxamides with antithrombotic activity
  申请人：——

  公开号：US20040242581A1

  公开（公告）日：2004-12-02

  This application relates to a compound of formula (I) (or a pharmaceutically acceptable salt thereof) as defined herein, pharmaceuical compositions thereof, and its use as an inhibitor of factor Xa, as well as a process for its preparation and intermedicates therefor. 1

  本申请涉及到公式（I）（或其药学上可接受的盐）的化合物，以及其药学组合物，以及其作为因子Xa抑制剂的用途，以及其制备方法和中间体。1
• Substituted carboxamides
  申请人：——

  公开号：US20040058959A1

  公开（公告）日：2004-03-25

  This application relates to a compound of formula I (or a pharmaceutically acceptable salt thereof) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa, as well as a process for its preparation and intermediates therefor.

  本申请涉及公式I的化合物（或其药学上可接受的盐），其制药组合物，以及其作为Xa因子抑制剂的用途，以及其制备过程和其中间体。
• AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS
  申请人：Argade Ankush Baburao

  公开号：US20090227566A1

  公开（公告）日：2009-09-10

  This application relates to a compound of formula (I) (or a pharmaceutically acceptable salt of the compound or prodrug thereof) as defined herein, pharmaceutical compositions thereof, and its use as an inhibitor of factor Xa and/or thrombin, as well as a process for its preparation and intermediates therefor. An example of a compound of formula (I) is (a).

  本发明涉及公式(I)的化合物(或其药学上可接受的盐或前药)、其制药组合物以及其作为Xa因子和/或凝血酶抑制剂的用途，以及其制备过程和中间体。公式(I)的化合物的一个例子是(a)。