4-(1,5-bis(((9H-fluoren-9-yl)methoxy)carbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)benzoic acid | 942233-15-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 4-(1,5-bis(((9H-fluoren-9-yl)methoxy)carbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)benzoic acid
• CAS: 942233-15-0
• 化学式: C₄₃H₃₃N₃O₆
• 分子量: 687.752
• InChiKey: NSOKCCXYWSCHOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.28
• 重原子数：
  52.0
• 可旋转键数：
  6.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  110.96
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-(1,5-bis(((9H-fluoren-9-yl)methoxy)carbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)benzoic acid 、 3-氯苯甲醛 、 4-甲氧基苄胺 生成 4-[5-[(3-chlorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
  参考文献：
  名称：

  Evaluation of N-(phenylmethyl)-4-[5-(phenylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]benzamide inhibitors of Mycobacterium tuberculosis growth

  摘要：

  The biological evaluation of imidazopiperidines as FAS II inhibitors of Mycobacterium tuberculosis growth has been carried out with a view to assessment of potential as lead compounds for the development of a new TB drug. A summary of the hit evaluation and current challenges is described herein. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.078
• 作为产物：
  描述：

  4-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)benzoic acid 、 (9H-芴-9-基)甲基 2,5-二氧代吡咯烷-1-羧酸 在 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以76%的产率得到4-(1,5-bis(((9H-fluoren-9-yl)methoxy)carbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)benzoic acid
  参考文献：
  名称：

  Evaluation of N-(phenylmethyl)-4-[5-(phenylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]benzamide inhibitors of Mycobacterium tuberculosis growth

  摘要：

  The biological evaluation of imidazopiperidines as FAS II inhibitors of Mycobacterium tuberculosis growth has been carried out with a view to assessment of potential as lead compounds for the development of a new TB drug. A summary of the hit evaluation and current challenges is described herein. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.078