(3R,6R)-6-二甲基氨基-4,4-二苯基-3-庚醇 | 17199-54-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (3R,6R)-6-二甲基氨基-4,4-二苯基-3-庚醇
• 中文别名: 阿法美沙醇
• 英文名称: α-methadol
• 英文别名: alpha-Methadol；Alphamethadol；(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-ol
• CAS: 17199-54-1
• 化学式: C₂₁H₂₉NO
• 分子量: 311.467
• InChiKey: QIRAYNIFEOXSPW-YLJYHZDGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3R,6R)-6-二甲基氨基-4,4-二苯基-3-庚醇 在 锂硼氢 作用下， 以 乙醚 为溶剂， 生成 borinic acid (1R,4R)-4-dimethylamino-1-ethyl-2,2-diphenyl-pentyl ester
  参考文献：
  名称：

  Haller; Rummler, Archiv der Pharmazie, 1973, vol. 306, # 7, p. 524 - 528

  摘要：

  DOI：
• 作为产物：
  描述：

  (-)-alpha-Noracetylmethadol 在 盐酸 、 calcium sulfate 、 potassium permanganate 、 甲酸 、 铁粉 作用下， 以 乙醇 、 水 、 叔丁醇 为溶剂， 反应 2.0h， 生成 (3R,6R)-6-二甲基氨基-4,4-二苯基-3-庚醇
  参考文献：
  名称：

  Synthesis of a new metabolite of acetylmethadol

  摘要：

  The primary amine metabolites of alpha-(plus or minus)- alpha-(minus)-acetylmethadol were synthesized. A neutral permanganate oxidation of noracetylmethadol gave a nitroalkane. This unusual oxidation product was readily converted to the primary amine metabolite of acetylmethadol.

  DOI：

  10.1021/jm00237a010

文献信息

• [EN] HETEROARYL AMIDE ANALOGUES<br/>[FR] ANALOGUES D'HÉTÉROARYLAMIDES
  申请人：NEUROGEN CORP

  公开号：WO2009023623A1

  公开（公告）日：2009-02-19

  Compounds, pharmaceutical compositions, and methods of use are disclosed for heteroaryl amide analogues of formula Ia and/or Ib: . In certain embodiments, the heteroaryl amide analogues are agonists and/or ligands of dopamine receptors and may be useful, inter alia, for the treatment of a condition responsive to P2X7 receptor modulation, for example, pain, inflammation, a neurological or neurodegenerative disorder, a cardiovascular disorder, an ocular disorder or an immune system disorder.

  公开了公式Ia和/或Ib的杂环酰胺类似物的化合物、药物组合物和使用方法。在某些实施例中，这些杂环酰胺类似物是多巴胺受体的激动剂和/或配体，可能有助于治疗对P2X7受体调节敏感的疾病，例如疼痛、炎症、神经系统或神经退行性疾病、心血管疾病、眼部疾病或免疫系统疾病。
• Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues
  申请人：Bakthavatchalam Rajagopal

  公开号：US20050215575A1

  公开（公告）日：2005-09-29

  Substituted (7-pyridyl-4-phenylamino-quinazolin-2-yl)-methanol analogues are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了(7-吡啶基-4-苯基氨基喹唑啉-2-基)-甲醇类似物。这些化合物是配体，可用于调节体内或体外特定受体的活性，并在治疗与人类、驯养伴侣动物和家畜动物中的病理性受体激活相关的疾病方面特别有用。提供了用于治疗这些疾病的药物组合物和使用它们的方法，以及用于受体定位研究的这种配体的方法。
• [EN] ARYLALKYLAMINO-SUBSTITUTED QUINAZOLINE ANALOGUES<br/>[FR] ANALOGUES QUINAZOLINE A SUBSTITUTION D'ARYLALKYLAMINO
  申请人：NEUROGEN CORP

  公开号：WO2005087227A1

  公开（公告）日：2005-09-22

  Arylalkylamino-substituted quinazoline analogues are provided, of the Formula wherein variables are as described herein. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using such compounds to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了芳基烷基氨基取代的喹唑啉类似物，其化学式如下，其中变量如本文所述。这些化合物是配体，可用于体内或体外调节特定受体活性，并在治疗人类、驯养伴侣动物和家畜动物中与病理性受体激活相关的疾病方面特别有用。提供了用于治疗这些疾病的药物组合物和方法，以及用于受体定位研究的这类配体的方法。
• [EN] 2-SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS<br/>[FR] ANALOGUES DE QUINAZOLIN-4-YLAMINE 2-SUBSTITUEE COMME MODULATEURS DES RECEPTEURS DE LA CAPSICINE
  申请人：NEUROGEN CORP

  公开号：WO2004055003A1

  公开（公告）日：2004-07-01

  Certain 2-substituted quinazolin-4-ylamine analogues are provided. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了某些2-取代的喹唑啉-4-胺类似物。这些化合物是配体，可用于调节体内或体外特定受体的活性，并且在治疗与人类、驯养伴侣动物和家畜动物中的病理性受体激活相关的疾病方面特别有用。还提供了用于治疗此类疾病的药物组合物和使用它们的方法，以及用于受体定位研究的配体使用方法。
• [EN] SUBSTITUTED HETEROCYCLIC DIARYLAMINE ANALOGUES<br/>[FR] ANALOGUES DE DIARYLAMINE HETEROCYCLIQUES SUBSTITUES
  申请人：NEUROGEN CORP

  公开号：WO2005007646A1

  公开（公告）日：2005-01-27

  Substituted heterocyclic diarylamine analogues of Formula I are provided: wherein X, Y and Z are independently N or optionally substituted C, and other variables are as described in the specification. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了公式I的取代杂环二芳基胺类似物：其中X、Y和Z分别是N或可选择取代的C，其他变量如规范中所述。这些化合物是配体，可用于在体内或体外调节特定受体活性，并在治疗与人类、驯养伴侣动物和家畜动物中的病理受体激活相关的疾病方面特别有用。提供了用于治疗这些疾病的药物组合物和使用它们的方法，以及用于受体定位研究的这类配体的使用方法。