(R)-N-(1-(3,5-diethoxy-4-fluorobenzyl)azepan-4-yl)-5-methylnicotinamide | 1245834-06-3

• 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: (R)-N-(1-(3,5-diethoxy-4-fluorobenzyl)azepan-4-yl)-5-methylnicotinamide
• 英文别名: N-[(4R)-1-[(3,5-diethoxy-4-fluorophenyl)methyl]azepan-4-yl]-5-methylpyridine-3-carboxamide
• CAS: 1245834-06-3
• 化学式: C₂₄H₃₂FN₃O₃
• 分子量: 429.535
• InChiKey: ODABXLCSMKWJEM-HXUWFJFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,5-diethoxy-4-fluoro-benzaldehyde 、 (R)-N-(azepan-4-yl)-5-methylnicotinamide 在 titanium(IV) isopropylate 、 sodium cyanoborohydride 作用下， 以 异丙醇 为溶剂， 反应 14.0h， 生成 (R)-N-(1-(3,5-diethoxy-4-fluorobenzyl)azepan-4-yl)-5-methylnicotinamide
  参考文献：
  名称：

  Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists

  摘要：

  Nicotinamides of benzyl-substituted 4-aminopiperidines and their seven-membered analogs of generic structure 2 and 20 have been discovered as potent and selective SST5 antagonists. The activity (K-i) ranges from 2.4 to 436 nM. Most compounds exhibit decent physicochemical properties and follow a clear SAR pattern. Interestingly enough, the receptor is strongly enantiodiscriminating and binds in the amino-azepaneseries only the (R)-enantiomer. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.026

文献信息

• Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists
  作者：André Alker、Alfred Binggeli、Andreas D. Christ、Luke Green、Hans Peter Maerki、Rainer E. Martin、Peter Mohr

  DOI：10.1016/j.bmcl.2010.06.026

  日期：2010.8

  Nicotinamides of benzyl-substituted 4-aminopiperidines and their seven-membered analogs of generic structure 2 and 20 have been discovered as potent and selective SST5 antagonists. The activity (K-i) ranges from 2.4 to 436 nM. Most compounds exhibit decent physicochemical properties and follow a clear SAR pattern. Interestingly enough, the receptor is strongly enantiodiscriminating and binds in the amino-azepaneseries only the (R)-enantiomer. (C) 2010 Elsevier Ltd. All rights reserved.