[(S)-1-Hydroxymethyl-2-(2-methoxy-naphthalen-1-yl)-ethyl]-carbamic acid tert-butyl ester | 904324-57-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [(S)-1-Hydroxymethyl-2-(2-methoxy-naphthalen-1-yl)-ethyl]-carbamic acid tert-butyl ester
• CAS: 904324-57-8
• 化学式: C₁₉H₂₅NO₄
• 分子量: 331.412
• InChiKey: KWWFDIPXJQONPG-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  67.79
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [(S)-1-Hydroxymethyl-2-(2-methoxy-naphthalen-1-yl)-ethyl]-carbamic acid tert-butyl ester 在 四(三苯基膦)钯 、 六甲基二锡 、 三苯基膦 、 三氟乙酸 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 生成 2-(2-methoxy-naphthalen-1-yl)-1-[5-(3-methyl-1H-indazol-5-yl)-pyridin-3-yloxymethyl]-ethylamine
  参考文献：
  名称：

  Identification of a novel 3,5-disubstituted pyridine as a potent, selective, and orally active inhibitor of Akt1 kinase

  摘要：

  Based on lead compounds 2 and 3 a series of 3,5-disubstituted pyridines have been designed and evaluated for inhibition of AKT/PKB. Modifications at the 3 position of the pyridine ring led to a number of potent compounds with improved physical properties, resulting in the identification of 11g as a promising, orally active Akt inhibitor. The synthesis, structure-activity relationship studies, and pharmacokinetic data are presented in this paper. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.046
• 作为产物：
  描述：

  (S)-2-tert-Butoxycarbonylamino-3-(2-methoxy-naphthalen-1-yl)-propionic acid 在 氯甲酸异丁酯 、 sodium tetrahydroborate 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 生成 [(S)-1-Hydroxymethyl-2-(2-methoxy-naphthalen-1-yl)-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Identification of a novel 3,5-disubstituted pyridine as a potent, selective, and orally active inhibitor of Akt1 kinase

  摘要：

  Based on lead compounds 2 and 3 a series of 3,5-disubstituted pyridines have been designed and evaluated for inhibition of AKT/PKB. Modifications at the 3 position of the pyridine ring led to a number of potent compounds with improved physical properties, resulting in the identification of 11g as a promising, orally active Akt inhibitor. The synthesis, structure-activity relationship studies, and pharmacokinetic data are presented in this paper. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.046