RAC-阿托莫西汀EP杂质C | 56161-78-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: RAC-阿托莫西汀EP杂质C
• 英文名称: N-methyl-3-phenyl-3-(p-tolyloxy)propan-1-amine
• 英文别名: fluoxetine；N-methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine
• CAS: 56161-78-5
• 化学式: C₁₇H₂₁NO
• 分子量: 255.36
• InChiKey: HBZGYXADKHAYTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  RAC-阿托莫西汀EP杂质C 、 5-(ethoxymethylene)thiazolidine-2,4-dione 在 三乙胺 作用下， 以 乙腈 为溶剂， 以94%的产率得到(Z)-5-((methyl(3-phenyl-3-(p-tolyloxy)propyl)amino)methylene)thiazolidine-2,4-dione
  参考文献：
  名称：

  An assembly of structurally diverse small and simple 5-aminomethylene derivatives of 2,4-thiazolidinedione and studies of their biological activity

  摘要：

  The synthesis of a novel series of substituted 5-(aminomethylene)thiazolidine-2,4-diones was achieved using a wide range of heterocyclic models derived from eight drug-like molecules. The primary aim of this study was to combine medicinally known, biologically active molecules bearing a 2A degrees amine functionality, such as terbinafine, fluoxetine, atomoxetine, cetirizine, risperidone, aripiprazole, ziprasidone, and clopidogrel, with a thiazolidinedione ring via an amino-methylene linker. By targeting this synergistic approach to compounds with skeletal, functional, and stereochemical diversity, we have developed a simple synthetic concept to enrich the thiazolidinedione collection with various biological activities. The biological activities of the newly synthesized 5-(aminomethylene)thiazolidine-2,4-dione derivatives were explored. All compounds were found to have antibacterial activity, with compounds bearing pyridine or piperazine moieties showing good to excellent antibacterial activity. Compounds with piperazine moieties were also found to show good antifungal activity, whereas none of the synthesized compounds showed high cytotoxic activity.

  DOI：

  10.1007/s00044-015-1447-0
• 作为产物：
  描述：

  N-甲基-3-苯基-3-羟基丙胺 、 盐酸 生成 RAC-阿托莫西汀EP杂质C
  参考文献：
  名称：

  Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards

  摘要：

  本发明提供了N-甲基-3-(3-甲基苯氧基)-3-苯基丙胺盐酸盐的分离物，以及其制备方法，以及N-甲基-3-(4-甲基苯氧基)-3-苯基丙胺盐酸盐和N-甲基-3-苯氧基-3-苯基丙胺盐酸盐的制备方法。本发明进一步提供了上述化合物在合成阿托莫西汀期间作为参考标记物和/或参考标准物的用途。还提供了一种限制合成阿托莫西汀盐酸盐时2-氟甲苯起始材料中杂质3FT（3-氟甲苯）、4FT（4-氟甲苯）和FB（氟苯）量的方法。通过使用标记物3-ATM HCl确定2-氟甲苯起始材料中3FT、4FT和FB的含量，确保阿托莫西汀盐酸盐产品的纯度。

  公开号：

  US20060009532A1

文献信息

• [EN] SYNTHESIS OF ATOMOXETINE HYDROCHLORIDE<br/>[FR] SYNTHESE D'HYDROCHLORURE D'ATOMOXETINE
  申请人：REDDYS LAB LTD DR

  公开号：WO2006037055A1

  公开（公告）日：2006-04-06

  (±)-Atomoxetine oxalate having crystalline Form II and a solid (±)-atomoxetine free base are useful in preparing atomoxetine hydrochloride.

  (±)-酒石酸阿托莫西汀II型晶体和固体(±)-阿托莫西汀游离碱在制备盐酸阿托莫西汀时是有用的。
• Synthesis of Atomoxetine Hydrochloride
  申请人：Mathad Thippannachar Vijayavitthal

  公开号：US20080004470A1

  公开（公告）日：2008-01-03

  (±)-Atomoxetine oxalate having crystalline Form II and a solid (±)-atomoxetine free base are useful in preparing atomoxetine hydrochloride.

  (±)-草酸阿托莫西汀II型晶体和固体(±)-阿托莫西汀游离碱在制备阿托莫西汀盐酸盐时是有用的。
• INHIBITOR(S) OF TRANSPORTERS OR UPTAKE OF MONOAMINERGIC NEUROTRANSMITTERS
  申请人：White James David

  公开号：US20120190725A1

  公开（公告）日：2012-07-26

  The present disclosure concerns a compound, or a pharmaceutically acceptable salt thereof, having a formula: where at least one of R 1 -R 4 is a heterocycle, at least one of R 1 -R 4 is an aryl group coupled to the ring by a linker atom, functional group, or other moiety, or where none of R 1 -R 4 is an amide, and any and all combinations thereof. Remaining R 1 -R 4 substituents independently are aliphatic, substituted aliphatic, amine, substituted amine, aryl, substituted aryl, cyclic, substituted cyclic, halide, heteroaryl, substituted heteroaryl, heterocyclic, substituted heterocyclic, hydrogen or hydroxyl. A method for treating a subject also is provided comprising administering a disclosed compound or compounds, or a prodrug that is converted into the disclosed compound or compounds, or a composition comprising the compound, compounds, or prodrugs thereof, to a subject. A method for making disclosed compounds also is provided.

  本公开涉及一种化合物或其药学上可接受的盐，其具有以下公式：其中R1-R4中至少有一个是杂环，R1-R4中至少有一个是通过连接原子、功能团或其他基团与环相偶联的芳基团，或其中R1-R4均不是酰胺，以及所有这些组合。其余的R1-R4取代基独立地为脂肪族、取代脂肪族、胺、取代胺、芳基、取代芳基、环状、取代环状、卤素、杂芳基、取代杂芳基、杂环、取代杂环、氢或羟基。还提供了一种治疗受试者的方法，包括向受试者投药所述化合物或化合物、或被转化为所述化合物或化合物的前药，或包含化合物、化合物或其前药的组合物。还提供了制备公开化合物的方法。
• AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3-PHENYLPROPYLAMINE AND SALT THEREOF
  申请人：ZCL CHEMICALS LIMITED

  公开号：US20160107983A1

  公开（公告）日：2016-04-21

  The present invention relates to an industrially feasible and economically viable process for the preparation of 3-aryloxy-3-phenylpropylarnine and salt of formula I thereof.

  本发明涉及一种工业可行且经济可行的制备3-芳氧基-3-苯基丙基胺及其盐的公式I的过程。
• COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS
  申请人：NPS PHARMACEUTICALS, INC.

  公开号：EP0831799B1

  公开（公告）日：2003-05-02