2-氨基-1-(3,4-二甲氧基-苯基)-乙酮 | 40869-57-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氨基-1-(3,4-二甲氧基-苯基)-乙酮
• 英文名称: 2-amino-1-(3,4-dimethoxy-phenyl)-ethanone
• 英文别名: 2-Amino-1-(3,4-dimethoxy-phenyl)-aethanon；4-Aminoacetyl-brenzcatechin-dimethylaether；ω-Amino-3.4-dimethoxy-acetophenon；ω-Amino-acetoveratron；2-amino-4'5'-dimethoxyacetophenone；2-Amino-1-(3,4-dimethoxyphenyl)ethanone
• CAS: 40869-57-6
• 化学式: C₁₀H₁₃NO₃
• mdl: MFCD00092414
• 分子量: 195.218
• InChiKey: UCGKTSFAOXXMHD-UHFFFAOYSA-N

物化性质

• 熔点：
  193 °C
• 沸点：
  335.7±32.0 °C(Predicted)
• 密度：
  1.130±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  61.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氨基-1-(3,4-二甲氧基-苯基)-乙酮 在 盐酸 作用下， 生成 2-氨基-1-(3,4-二羟基苯基)乙烷-1-酮
  参考文献：
  名称：

  Mannich; Hahn, Chemische Berichte, 1911, vol. 44, p. 1550

  摘要：

  DOI：
• 作为产物：
  描述：

  (3,4-dimethoxy-phenyl)-glyoxylonitrile 在 钯 、 溶剂黄146 作用下， 生成 2-氨基-1-(3,4-二甲氧基-苯基)-乙酮
  参考文献：
  名称：

  Über neue und über verbesserte Wege zum Aufbau von pharmakologisch wichtigen Aminen III. Über die Synthese von Adrenalin und von adrenalinähnlichen Verbindungen

  摘要：

  DOI：

  10.1002/ardp.19312693504

文献信息

• Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof
  申请人：Cytovia, Inc.

  公开号：US20030069239A1

  公开（公告）日：2003-04-10

  The present invention is directed to substituted 2-aryl-4-arylaminopyrimidine and analogs thereof, represented by the general Formula I: 1 wherein A, Ar 1 , Ar 2 , R 1 and R 3 are defined herein. The present invention also relates to the discovery that compounds having Formula I are activators of caspases and inducers of apoptosis. The compounds of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及被一般式I所代表的取代的2-芳基-4-芳基氨基嘧啶及其类似物： 其中A，Ar1，Ar2，R1和R3在此处被定义。本发明还涉及发现具有式I的化合物是caspase的激活剂和凋亡诱导剂。本发明的化合物可用于诱导在出现未受控制的异常细胞生长和扩散的各种临床病况中的细胞死亡。
• [EN] 4-SUBSTITUTED 4, 6-DIALKOXY-CINNOLINE DERIVATIVES AS PHOSPODIESTERASE 10 INHIBITORS FOR THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL SYNDROMS<br/>[FR] DERIVES DE 4, 6-DIALKOXY-CINNOLINE SUBSTITUES EN POSITION 4 EN TANT QU'INHIBITEURS DE PHOSPODIESTERASE 10 POUR LE TRAITEMENT DE SYNDROMES PSYCHIATRIQUES OU NEUROLOGIQUES
  申请人：MEMORY PHARM CORP

  公开号：WO2006028957A1

  公开（公告）日：2006-03-16

  The present disclosure relates generally to the field of phosphodiesterase 10 (PDE10) enzyme inhibition by cinnoline compounds of Formulas: (I) and (II); wherein R'-R3 and R15-R18 are as defined herein. Still further, the present invention provides methods for synthesizing compounds with such activity and selectivity, as well as methods of and corresponding pharmaceutical compositions for treating a patient, e.g., mammals, including humans, in need of PDE inhibition. Treatment is preferably for a disease state that involves elevated intracellular PDE10 levels or decreased cAMP and/or cGMP levels, e.g., involving neurological or psychiatric syndromes, especially those states associated with psychoses, most especially schizophrenia or bipolar disorder, obsessive-compulsive disorder, and/or Parkinson’s disease. In particular, such psychoses, obsessive-compulsive disorder, and/or Parkinson’s disease are due at least in part to catabolism of intracellular cAMP and/or cGMP levels by PDE10 enzymes or where such an impaired condition can be improved by increasing cAMP and/or cGMP levels.

  本公开涉及磷酸二酯酶10（PDE10）酶被Formula（I）和（II）的喹啉类化合物抑制；其中R'-R3和R15-R18如本文所定义。此外，本发明提供了合成具有此类活性和选择性的化合物的方法，以及用于治疗需要PDE抑制的患者，例如哺乳动物，包括人类的方法和相应的药物组合物。治疗最好用于涉及细胞内PDE10水平升高或cAMP和/或cGMP水平降低的疾病状态，例如涉及神经系统或精神症候群，尤其是与精神病、强迫症、帕金森病有关的状态。特别是这些精神病、强迫症和/或帕金森病至少部分是由PDE10酶分解细胞内cAMP和/或cGMP水平引起的，或者这种受损状态可以通过增加cAMP和/或cGMP水平来改善。
• NOVEL DIARYLAMIDE DERIVATIVES AND USE THEREOF AS MEDICINES
  申请人：Japan Energy Corporation

  公开号：EP1229010A1

  公开（公告）日：2002-08-07

  This invention relates to a diarylamide derivative represented by formula (1) or a salt thereof and a pharmaceutical composition comprising, as an active ingredient, the compound: wherein,    A and B denote an aromatic ring such as a benzene ring; COY and NHCOX are adjacent to each other and these substituents are linked to carbon in the aromatic ring A; X denotes alkylene, alkyleneoxy, or a single bond; Y denotes an alkyl, alkoxy, hydroxyl, or substituted or unsubstituted amino group; R1 denotes hydrogen, halogen, hydroxyl, alkyl or the like, provided that, when A denotes a benzene ring, R1 does not denote hydrogen; R2 denotes hydrogen, halogen, hydroxyl, alkyl or the like; R3 and R4 denote a substituted or unsubstituted imino group, an oxygen atom, or a single bond; R5 denotes alkyl, substituted or unsubstituted phenyl or the like; and Z denotes oxygen or sulfur.

  这项发明涉及一种由式（1）表示的二芳基酰胺衍生物或其盐，以及包括该化合物作为活性成分的药物组合物：其中，A和B表示芳香环，如苯环；COY和NHCOX相邻且这些取代基与芳香环A中的碳相连；X表示烷基，烷氧基或单键；Y表示烷基，烷氧基，羟基，或取代或未取代的氨基团；R1表示氢，卤素，羟基，烷基或类似物，但当A表示苯环时，R1不表示氢；R2表示氢，卤素，羟基，烷基或类似物；R3和R4表示取代或未取代的亚胺基团，氧原子或单键；R5表示烷基，取代或未取代的苯基或类似物；Z表示氧或硫。
• [EN] COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：PROTEOTECH INC

  公开号：WO2012118935A1

  公开（公告）日：2012-09-07

  Compounds and their pharmaceutically acceptable salts for treatment of synucleinopathies, such as Parkinson's disease and tauopathies.

  用于治疗α-突触核复合物病和tau蛋白病的化合物及其药用盐。
• Compounds for Use in the Detection of Neurodegenerative Diseases
  申请人：Hefti Franz F.

  公开号：US20120251448A1

  公开（公告）日：2012-10-04

  Provided are the use of the disclosed compounds as imaging agents and methods for in vivo imaging and detection of pathological characteristics unique to synuclein diseases, such as Parkinson's disease.

  提供了披露的化合物用作成像剂的用途以及用于体内成像和检测与α-突触核蛋白疾病（如帕金森病）特有的病理特征的方法。