2-amino-3,5-dimethoxyphenol hydrochloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-amino-3,5-dimethoxyphenol hydrochloride
• 英文别名: 2-amino-3,5-dimethoxy-phenol; hydrochloride；2-Amino-3,5-dimethoxy-phenol; Hydrochlorid；1-amino-2-hydroxy-4,6-dimethoxybenzene hydrochloride；2-amino-3,5-dimethoxyphenol;hydrochloride
• 化学式: C₈H₁₁NO₃*ClH
• 分子量: 205.641
• InChiKey: DQUNAWSDOZMTKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.41
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  64.7
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-amino-3,5-dimethoxyphenol hydrochloride 在 三溴化硼 、 potassium carbonate 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 3-(3-Bromo-4-hydroxy-phenyl)-2-ethyl-2H-benzo[1,4]oxazine-5,7-diol
  参考文献：
  名称：

  Synthesis and structure–activity relationship of 3-arylbenzoxazines as selective estrogen receptor β agonists

  摘要：

  A series of 3-aryl-7-hydroxybenzoxazine analogues have been prepared and evaluated as ligands for the two estrogen receptor subtypes (ERalpha and ERbeta). From the radioligand binding assay, compounds with more than a 10-fold binding selectivity toward the ERbeta subtype have been identified. These compounds have also been shown to be potent full agonists in the functional assay by activation of ERE promoted transcription, with the best compound being 20-fold more potent than genistein. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.099
• 作为产物：
  描述：

  3,5-Dimethoxy-2-nitro-phenol 在 钯 氢气 作用下， 以 甲醇 、 氯仿 为溶剂， 生成 2-amino-3,5-dimethoxyphenol hydrochloride
  参考文献：
  名称：

  Synthesis and structure–activity relationship of 3-arylbenzoxazines as selective estrogen receptor β agonists

  摘要：

  A series of 3-aryl-7-hydroxybenzoxazine analogues have been prepared and evaluated as ligands for the two estrogen receptor subtypes (ERalpha and ERbeta). From the radioligand binding assay, compounds with more than a 10-fold binding selectivity toward the ERbeta subtype have been identified. These compounds have also been shown to be potent full agonists in the functional assay by activation of ERE promoted transcription, with the best compound being 20-fold more potent than genistein. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.099

文献信息

• TRICYCLIC HETEROAROMATIC COMPOUNDS AS ALPHA-SYNUCLEIN LIGANDS
  申请人：Tu Zhude

  公开号：US20130315825A1

  公开（公告）日：2013-11-28

  Derivatives of phenothiazine, phenoxazine, and phenazine compounds and their use as α-synuclein ligands are described. Also described are methods of using these compounds and their radiolabeled analogs for the detection, monitoring, and treatment of synucleinopathies, including Parkinson's disease.

  描述了吩噻嗪、苯并恶嗪和苯并嗪化合物的衍生物及其作为α-突触核蛋白配体的用途。还描述了使用这些化合物及其放射性标记类似物用于检测、监测和治疗突触核蛋白病，包括帕金森病的方法。
• US3996210A
  申请人：——

  公开号：US3996210A

  公开（公告）日：1976-12-07
• Synthesis and structure–activity relationship of 3-arylbenzoxazines as selective estrogen receptor β agonists
  作者：Wu Yang、Yufeng Wang、Zhengping Ma、Rajasree Golla、Terry Stouch、Ramakrishna Seethala、Susan Johnson、Rong Zhou、Timur Güngör、Jean H.M Feyen、John K Dickson

  DOI：10.1016/j.bmcl.2004.01.099

  日期：2004.5

  A series of 3-aryl-7-hydroxybenzoxazine analogues have been prepared and evaluated as ligands for the two estrogen receptor subtypes (ERalpha and ERbeta). From the radioligand binding assay, compounds with more than a 10-fold binding selectivity toward the ERbeta subtype have been identified. These compounds have also been shown to be potent full agonists in the functional assay by activation of ERE promoted transcription, with the best compound being 20-fold more potent than genistein. (C) 2004 Elsevier Ltd. All rights reserved.