3-(N-乙基苯胺基)丙烷-1,2-二醇 | 92-58-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-(N-乙基苯胺基)丙烷-1,2-二醇
• 英文名称: 3-(N-ethyl-anilino)-propane-1,2-diol
• 英文别名: 3-(N-Aethyl-anilino)-propan-1,2-diol；rac-3-(ethyl-phenyl-amino)-propane-1,2-diol；3-(N-ethylanilino)propane-1,2-diol
• CAS: 92-58-0
• 化学式: C₁₁H₁₇NO₂
• 分子量: 195.261
• InChiKey: SAOJIGZKFVGZDC-UHFFFAOYSA-N

物化性质

• 沸点：
  170-172 °C
• 密度：
  1.133±0.06 g/cm3(Predicted)
• 熔点：
  59 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(N-乙基苯胺基)丙烷-1,2-二醇 、 乙酸酐 生成 1,2-diacetoxy-3-(N-ethyl-anilino)-propane
  参考文献：
  名称：

  Malinowskii; Pertschik, Zhurnal Obshchei Khimii, 1957, vol. 27, p. 1591; engl. Ausg. S. 1663

  摘要：

  DOI：
• 作为产物：
  描述：

  1-acetoxy-3-(N-ethyl-anilino)-propan-2-ol 在 氢氧化钾 作用下， 生成 3-(N-乙基苯胺基)丙烷-1,2-二醇
  参考文献：
  名称：

  Kuroki et al., Kogyo Kagaku zasshi / Journal of the Society of Chemical Industry, 1956, vol. 59, p. 626,629

  摘要：

  DOI：

文献信息

• 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents
  申请人：Schnute Edward Mark

  公开号：US20050004161A1

  公开（公告）日：2005-01-06

  The invention provides a compound of formula I: wherein A, B, R 1 , R 2 , R 3 , and R 4 are as defined in the specification. The compounds of the present invention are useful for treating viral infections, in particular a herpesviral infection.

  该发明提供了化合物I的结构，其中A、B、R1、R2、R3和R4如规范中定义。本发明的化合物对治疗病毒感染，特别是单纯疱疹病毒感染，具有实用价值。
• 4-IMIDAZOLINES
  申请人：Galley Guido

  公开号：US20090012138A1

  公开（公告）日：2009-01-08

  The present invention relates to compounds of formula wherein R 1 , R 2 , X, Y and Ar are as defined herein and to their pharmaceutically active salts, with the exclusion of the racemic compound 4-benzyl-4,5-dihydro-1H-imidazole or its tautomer (CAS 131548-83-9). Compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1 and are useful for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  本发明涉及式I的化合物，其中R1，R2，X，Y和Ar如此定义，并且它们的药物活性盐，但排除外消旋化合物4-苄基-4,5-二氢-1H-咪唑或其互变异构体（CAS 131548-83-9）。式I的化合物具有良好的迹胺相关受体（TAARs）亲和力，尤其是对TAAR1，可用于治疗抑郁症，焦虑症，双相情感障碍，注意力缺陷多动障碍（ADHD），与压力相关的障碍，精神障碍，如精神分裂症，神经疾病，如帕金森病，神经退行性疾病，如阿尔茨海默病，癫痫，偏头痛，高血压，物质滥用和代谢性疾病，如进食障碍，糖尿病，糖尿病并发症，肥胖症，脂质代谢异常，能量消耗和吸收障碍，体温稳态障碍和功能障碍，睡眠和昼夜节律障碍，以及心血管疾病。
• [EN] 4-IMIDAZOLINES AND THEIR USE AS ANTIDEPRESSANTS<br/>[FR] 4-IMIDAZOLINES ET LEUR UTILISATION COMME ANTIDÉPRESSEURS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009003867A1

  公开（公告）日：2009-01-08

  The present invention relates to compounds of formula (I) wherein R1 is hydrogen, halogen or lower alkyl; R2 is hydrogen or amino; X-Y is -(CH2)n-, N(R)-CH2-, -O-CH2- or -S-CH2-; Ar is phenyl or naphthyl; n is 1 or 2; R is hydrogen or lower alkyl; and to their pharmaceutically active salts, with the exclusion of the racemic compound 4-benzyl-4,5-dihydro-lH-imidazole or its tautomer (CAS 131548-83-9). It has been found that the compounds of formula (I) have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1. The compounds may be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  本发明涉及式(I)的化合物，其中R1是氢，卤素或较低的烷基; R2是氢或氨基; X-Y是-(CH2)n-，N(R)-CH2-，-O-CH2-或-S-CH2-; Ar是苯基或萘基; n为1或2; R是氢或较低的烷基; 以及它们的药物活性盐，排除了外消旋化合物4-苄基-4,5-二氢-1H-咪唑或其互变异构体（CAS 131548-83-9）。发现式(I)的化合物对痕量胺相关受体（TAARs）具有良好的亲和力，特别是对TAAR1。这些化合物可用于治疗抑郁症、焦虑症、双相情感障碍、注意力缺陷多动障碍（ADHD）、与压力相关的障碍、精神障碍如精神分裂症、神经疾病如帕金森病、神经退行性疾病如阿尔茨海默病、癫痫、偏头痛、高血压、物质滥用和代谢障碍如进食障碍、糖尿病、糖尿病并发症、肥胖症、血脂异常、能量消耗和吸收障碍、体温稳态障碍和功能障碍、睡眠和昼夜节律障碍以及心血管疾病。
• Deazapurines and uses thereof
  申请人：Daun Jane

  公开号：US20050124649A1

  公开（公告）日：2005-06-09

  The present invention provides compounds having formula (I), wherein R 1 , R 2 , R 3 and n are as described generally and in classes and subclasses herein, and additionally provides pharmaceutical compositions thereof, and methods for the use thereof in the treatment of inflammatory or autoimmune and proliferative disorders and as inhibitors of cell adhesion molecule expression and inflammatory cytokine signal transduction generally.

  本发明提供具有公式（I）的化合物，其中R1、R2、R3和n如此处一般和分类子中所述，并且另外提供其制药组合物，以及在治疗炎症或自身免疫和增殖性疾病以及一般作为细胞黏附分子表达抑制剂和炎症细胞因子信号转导抑制剂的用途的方法。
• Novel deazapurines and uses thereof
  申请人：Eisai Co., Ltd.

  公开号：US20040186127A1

  公开（公告）日：2004-09-23

  The present invention provides methods of using compounds having formula (I): 1 wherein R 1 , R 2 , R 3 and n are as described generally and in classes and subclasses herein, in the treatment of reperfusion injuries, osteoporosis and/or bone metastasis.

  本发明提供了使用具有式（I）的化合物的方法：1其中R1，R2，R3和n如本文中一般和在类和子类中描述，在治疗再灌注损伤，骨质疏松症和/或骨转移方面。