2-氨基-6-甲氧基-4-甲基苯酚 | 862730-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-氨基-6-甲氧基-4-甲基苯酚
• 英文名称: 2-amino-6-methoxy-4-methyl-phenol
• 英文别名: 2-Amino-6-methoxy-4-methylphenol；2-amino-6-methoxy-4-methylphenol
• CAS: 862730-25-4
• 化学式: C₈H₁₁NO₂
• mdl: MFCD16878517
• 分子量: 153.181
• InChiKey: PNJUMBWTTCVPCM-UHFFFAOYSA-N

物化性质

• 沸点：
  276.7±40.0 °C(Predicted)
• 密度：
  1.174±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苯甲酰甲酸乙酯 、 2-氨基-6-甲氧基-4-甲基苯酚 生成 8-methoxy-6-methyl-3-phenyl-benzo[1,4]oxazin-2-one
  参考文献：
  名称：

  Biekert,E. et al., Chemische Berichte, 1961, vol. 94, p. 1664 - 1675

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲氧基-4-甲基-6-硝基苯酚 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 2-氨基-6-甲氧基-4-甲基苯酚
  参考文献：
  名称：

  Regulatory molecules for the 5-HT3 receptor ion channel gating system

  摘要：

  Substituted benzoxazole derivatives which possess a nitrogen containing heterocycle at C2 are selective partial agonists of the 5-HT3 receptor. Alteration of substituents on the benzoxazole nucleus affords both agonist-like and antagonist-like compounds, and uniquely modifies the function of the 5-HT3 receptor ion channel gating system. SAR and corroborative computational docking study for these partial agonists successfully explained structure and function of the 5-HT3 receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.02.054

文献信息

• POLYCYCLIC ANAPLASTIC LYMPHOMA KINASE INHIBITOR
  申请人：Xuanzhu Pharma Co., Ltd.

  公开号：EP3202765A1

  公开（公告）日：2017-08-09

  Provided is a polycyclic inhibitor of anaplastic lymphoma kinase as represented by Formula (I), or a pharmaceutically acceptable salt or stereoisomer thereof, wherein R1, R2, R3, R4, and ring A are as defined in the description. The invention also relates to a method for preparing the compound, a pharmaceutical preparation and a pharmaceutical composition comprising the compound, and use of the compound, the pharmaceutically acceptable salt or stereoisomer thereof in manufacture of a medicament for the treatment and/or prevention of an anaplastic lymphoma kinase-mediated cancer or non-cancer related diseases.

  本发明提供了一种由式(I)表示的无性淋巴瘤激酶多环抑制剂或其药学上可接受的盐或立体异构体，其中R1、R2、R3、R4和环A如描述中所定义。本发明还涉及制备该化合物的方法、包含该化合物的药物制剂和药物组合物，以及该化合物、其药学上可接受的盐或立体异构体在制造治疗和/或预防由无性淋巴瘤激酶介导的癌症或非癌症相关疾病的药物中的用途。
• Regulatory molecules for the 5-HT3 receptor ion channel gating system
  作者：Satoshi Yoshida、Takashi Watanabe、Yasuo Sato

  DOI：10.1016/j.bmc.2007.02.054

  日期：2007.5

  Substituted benzoxazole derivatives which possess a nitrogen containing heterocycle at C2 are selective partial agonists of the 5-HT3 receptor. Alteration of substituents on the benzoxazole nucleus affords both agonist-like and antagonist-like compounds, and uniquely modifies the function of the 5-HT3 receptor ion channel gating system. SAR and corroborative computational docking study for these partial agonists successfully explained structure and function of the 5-HT3 receptor. (c) 2007 Elsevier Ltd. All rights reserved.
• Biekert,E. et al., Chemische Berichte, 1961, vol. 94, p. 1664 - 1675
  作者：Biekert,E. et al.

  DOI：——

  日期：——