N-Cyclopropylmethyl-4-iodbenzamid | 39887-31-5

• 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-Cyclopropylmethyl-4-iodbenzamid
• 英文别名: N-(cyclopropylmethyl)-4-iodobenzamide
• CAS: 39887-31-5
• 化学式: C₁₁H₁₂INO
• 分子量: 301.127
• InChiKey: WKGKELXHCISANA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-Cyclopropylmethyl-4-iodbenzamid 、 联硼酸频那醇酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以69%的产率得到N-cyclopropylmethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzamide
  参考文献：
  名称：

  p38α Mitogen-Activated Protein Kinase Inhibitors: Optimization of a Series of Biphenylamides to Give a Molecule Suitable for Clinical Progression

  摘要：

  p38 alpha MAP kinase is a key anti-inflammatory target for rheumatoid arthritis, influencing biosynthesis of pro-inflammatory cytokines TNF alpha and IL-1 beta at a translational and transcriptional level. In this paper, we describe how we have optimized a series of novel p38 alpha/beta inhibitors using crystal structures of our inhibitors bound to p38 alpha, classical medicinal chemistry, and modeling of virtual libraries to derive a molecule suitable for progression into clinical development.

  DOI：

  10.1021/jm9004779
• 作为产物：
  描述：

  环丙基甲胺 、 4-碘苯甲酰氯 在 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以850 mg的产率得到N-Cyclopropylmethyl-4-iodbenzamid
  参考文献：
  名称：

  p38α Mitogen-Activated Protein Kinase Inhibitors: Optimization of a Series of Biphenylamides to Give a Molecule Suitable for Clinical Progression

  摘要：

  p38 alpha MAP kinase is a key anti-inflammatory target for rheumatoid arthritis, influencing biosynthesis of pro-inflammatory cytokines TNF alpha and IL-1 beta at a translational and transcriptional level. In this paper, we describe how we have optimized a series of novel p38 alpha/beta inhibitors using crystal structures of our inhibitors bound to p38 alpha, classical medicinal chemistry, and modeling of virtual libraries to derive a molecule suitable for progression into clinical development.

  DOI：

  10.1021/jm9004779

文献信息

• Novel benzazepine derivatives
  申请人：Glaxo Group Limited

  公开号：EP2133340A1

  公开（公告）日：2009-12-16

  The present invention relates to novel benzazepine derivatives having pharmacological activity, processes for their preparation, to compositions containing them and to their use in the treatment of neurological and psychiatric disorders. More specifically, the invention relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein formula (I) is as defined herein.

  本发明涉及具有药理活性的新型苯并氮杂卓衍生物、其制备工艺、含有它们的组合物以及它们在治疗神经和精神疾病中的用途。 更具体地说，本发明涉及式（I）化合物或其药学上可接受的盐： 其中式 (I) 如本文所定义。
• Novel benzazepine derivative
  申请人：Glaxo Group Limited

  公开号：EP2186516A1

  公开（公告）日：2010-05-19

  The present invention relates to a compound which is 6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy)-N-methyl-nicotinamide or a pharmaceutically acceptable salt thereof. This compound and its pharmaceutically acceptable salts have affinity for and are antagonists and/or inverse agonists of the histamine H3 receptor. The present invention also relates to processes for the preparation of this benzazepine derivative, to compositions containing it, and to the use of the benzazepine derivative in the treatment of neurological and psychiatric disorders.

  本发明涉及一种化合物，它是 6-(3-环丁基-2,3,4,5-四氢-1H-苯并[d]氮杂卓-7-氧基)-N-甲基烟酰胺 或其药学上可接受的盐。 该化合物及其药学上可接受的盐对组胺 H3 受体具有亲和力，是组胺 H3 受体的拮抗剂和/或反向激动剂。 本发明还涉及该苯并氮杂卓衍生物的制备工艺、含有该衍生物的组合物以及该苯并氮杂卓衍生物在治疗神经和精神疾病中的用途。
• BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1572215B1

  公开（公告）日：2009-09-02