(R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (S)-mandelate | 121251-89-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (S)-mandelate
• 英文别名: (2S)-2-hydroxy-2-phenylacetic acid;(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• CAS: 121251-89-6
• 化学式: C₈H₈O₃*C₁₁H₁₅NO
• 分子量: 329.396
• InChiKey: AGRJRKOMQPHFKT-JIJBYVMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  92.78
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (S)-mandelate 在 水 、 氢溴酸 、 sodium hydroxide 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 1.75h， 生成 (R)-2-氨基-7-羟基四氢化萘氢溴酸盐
  参考文献：
  名称：

  Design and Optimization of Potent and Orally Bioavailable Tetrahydronaphthalene Raf Inhibitors

  摘要：

  Inhibition of mutant B-Raf signaling, through either direct inhibition of the enzyme or inhibition of MEK, the direct substrate of Raf, has been demonstrated preclinically to inhibit tumor growth. Very recently, treatment of B-Raf mutant melanoma patients with a selective B-Raf inhibitor has resulted in promising preliminary evidence of antitumor activity. This article describes the design and optimization of tetrahydronaphthalene-derived compounds as potent inhibitors of the Raf pathway in vitro and in vivo. These compounds possess good pharmacokinetic properties in rodents and inhibit B-Raf mutant tumor growth in mouse xenograft models.

  DOI：

  10.1021/jm101479y
• 作为产物：
  描述：

  7-甲氧基-2-萘满酮 在 20 % Pd(OH)2/C 、 氢气 、 溶剂黄146 、 sodium hydroxide 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 异丙醇 、 甲苯 为溶剂， 反应 39.83h， 生成 (R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (S)-mandelate
  参考文献：
  名称：

  Design and Optimization of Potent and Orally Bioavailable Tetrahydronaphthalene Raf Inhibitors

  摘要：

  Inhibition of mutant B-Raf signaling, through either direct inhibition of the enzyme or inhibition of MEK, the direct substrate of Raf, has been demonstrated preclinically to inhibit tumor growth. Very recently, treatment of B-Raf mutant melanoma patients with a selective B-Raf inhibitor has resulted in promising preliminary evidence of antitumor activity. This article describes the design and optimization of tetrahydronaphthalene-derived compounds as potent inhibitors of the Raf pathway in vitro and in vivo. These compounds possess good pharmacokinetic properties in rodents and inhibit B-Raf mutant tumor growth in mouse xenograft models.

  DOI：

  10.1021/jm101479y

文献信息

• PREPARATION OF AMINOTETRALIN COMPOUNDS
  申请人：Gould Alexandra E.

  公开号：US20100197924A1

  公开（公告）日：2010-08-05

  The present invention relates to synthetic processes for preparation of aminotetralin compounds with kinase inhibitory activity. The invention also provides synthetic intermediates useful in the processes of the invention.

  本发明涉及用于制备具有激酶抑制活性的氨基四氢吡啶化合物的合成过程。该发明还提供了在本发明的过程中有用的合成中间体。
• GUZZI, UMBERTO;BARONI, MARCO;BOVERI, SERGIO;MANARA, LUCIANO;BIANCHETTI, A+
  作者：GUZZI, UMBERTO、BARONI, MARCO、BOVERI, SERGIO、MANARA, LUCIANO、BIANCHETTI, A+

  DOI：——

  日期：——