(2S)-3-(6-methoxypyridin-3-yl)-2-methylpropanal | 1221509-46-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S)-3-(6-methoxypyridin-3-yl)-2-methylpropanal
• CAS: 1221509-46-1
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: QHLMCSCUJUDRKW-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2S)-3-(6-methoxypyridin-3-yl)-2-methylpropanal 、 ((4S,4as,8ar)-去氢异喹啉-4-基)(4-(3,4-二氟苯基)哌嗪-1-基)甲酮 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 [4-(3,4-difluorophenyl)-piperazin-1-yl]-{(4s,4aS,8aR)-2-[(S)-3-(6-methoxy-pyridin-3-yl)-2-methyl-propyl]-decahydro-isoquinolin-4-yl}-methanone
  参考文献：
  名称：

  Decahydroisoquinoline derivatives as novel non-peptidic, potent and subtype-selective somatostatin sst3 receptor antagonists

  摘要：

  Starting from non-peptidic sst(1)-selective somatostatin receptor antagonists, first compounds with mixed sst(1)/sst(3) affinity were identified by directed structural modifications. Systematic optimization of these initial leads afforded novel, enantiomerically pure, highly potent and sst(3)-subtype selective somatostatin antagonists based on a (4S,4aS,8aR)-decahydroisoquinoline-4-carboxylic acid core moiety. These compounds can efficiently be synthesized and show promising PK properties in rodents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.063
• 作为产物：
  描述：

  (S)-3-(6-methoxy-pyridin-3-yl)-2-methylpropan-1-ol 在 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (2S)-3-(6-methoxypyridin-3-yl)-2-methylpropanal
  参考文献：
  名称：

  Decahydroisoquinoline derivatives as novel non-peptidic, potent and subtype-selective somatostatin sst3 receptor antagonists

  摘要：

  Starting from non-peptidic sst(1)-selective somatostatin receptor antagonists, first compounds with mixed sst(1)/sst(3) affinity were identified by directed structural modifications. Systematic optimization of these initial leads afforded novel, enantiomerically pure, highly potent and sst(3)-subtype selective somatostatin antagonists based on a (4S,4aS,8aR)-decahydroisoquinoline-4-carboxylic acid core moiety. These compounds can efficiently be synthesized and show promising PK properties in rodents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.063