帕罗西汀USPRCE | 69675-10-1

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 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: 帕罗西汀USPRCE
• 中文别名: 帕罗西汀杂质G
• 英文名称: 1-methyl-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
• 英文别名: 4-(4-fluorophenyl)-1-methyl-1,2,3,6-tetrahydropyridine；4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
• CAS: 69675-10-1
• 化学式: C₁₂H₁₄FN
• mdl: MFCD21363743
• 分子量: 191.248
• InChiKey: FYGWJEDFEJZMIC-UHFFFAOYSA-N

物化性质

• 沸点：
  264.5±40.0 °C(Predicted)
• 密度：
  1.079±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P301+P310
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H373
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  帕罗西汀USPRCE 、 盐酸 、 聚合甲醛 、 氨 在 甲苯 作用下， 以 硫酸 、 水 为溶剂， 反应 5.0h， 以gave 38 g of 4-(4-fluorophenyl)-3-hydroxymethyl-1-methyl-1,2,3,6-tetrahydropyridine with b.p. 110°-120° C at 0.1 mm Hg的产率得到4-(4-fluorophenyl)-3-hydroxymethyl-1-methyl-1,2,3,4-tetrahydropyridine
  参考文献：
  名称：

  4-Phenylpiperidine compounds

  摘要：

  该发明涉及新的3-取代的1-烷基-4-苯基哌啶衍生物，可用作抗抑郁和抗帕金森病药物，并涉及其制备方法。

  公开号：

  US04007196A1
• 作为产物：
  描述：

  4-(4-fluorophenyl)-1-methylpiperidin-4-ol 在 硫酸 作用下， 以 异丙醇 、 甲苯 为溶剂， 以19.5%的产率得到帕罗西汀USPRCE
  参考文献：
  名称：

  Improved Process for Paroxetine Hydrochloride Substantially Free from Potential Impurities

  摘要：

  An efficient process for production of paroxetine hydrochloride hemihydrate 1, a selective 5-hydroxytryptamine (serotonin) reuptake inhibitor, is described. Identification and control of potential impurities and establishment of efficient downstream workup procedures enabled us to produce paroxetine hydrochloride hemihydrate 1 efficiently.

  DOI：

  10.1080/00397911.2011.582216

文献信息

• Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods
  申请人：Merrill Bryon A.

  公开号：US20090069299A1

  公开（公告）日：2009-03-12

  Pyrazolo[3,4-c]quinolines, pyrazolo[4,5-c]naphthyridines, and analogs thereof, eg., 6,7,8,9-tetrahydro pyrazolo[3,4-c]quinolines, and, pharmaceutical compositions containing the compounds, intermediates, methods of making these compounds, and methods of use of these compounds as immunomodulators, for inhibiting cytokine biosynthesis in animals and in the therapeutic or prophylactic treatment of diseases by inhibiting cytokine biosynthesis are disclosed.

  本发明涉及吡唑并[3,4-c]喹啉、吡唑并[4,5-c]萘啉及其类似物，例如6,7,8,9-四氢吡唑并[3,4-c]喹啉，以及含有这些化合物的制药组合物、中间体、制备这些化合物的方法以及将这些化合物用作免疫调节剂的方法，用于抑制动物体内的细胞因子生物合成，并在治疗或预防通过抑制细胞因子生物合成引起的疾病中使用。
• Carbostyril compound
  申请人：Kuroda Takeshi

  公开号：US20070179173A1

  公开（公告）日：2007-08-02

  The present invention provides a carbostyril compound represented by General Formula (1) or a salt thereof, wherein A is a direct bond, a lower alkylene group, or a lower alkylidene group; X is an oxygen atom or a sulfur atom; R 4 and R 5 each represent a hydrogen atom; the bond between the 3 and 4 positions of the carbostyril skeleton is a single bond or a double bond; R 1 is a hydrogen atom, etc; R 2 is a hydrogen atom, etc; and R 3 is a hydrogen atom, etc. The carbostyril compound or salt thereof of the present invention induces the production of TFF, and thus is usable for the treatment and/or prevention of disorders such as alimentary tract diseases, oral diseases, upper respiratory tract diseases, respiratory tract diseases, eye diseases, cancers, and wounds.

  本发明提供了一种由通式（1）表示的碳基噻吩化合物或其盐，其中A是直接键，较低的烷基烷基或较低的烷基亚烷基；X是氧原子或硫原子；R4和R5分别表示氢原子；碳基噻吩骨架的3和4位之间的键是单键或双键；R1是氢原子等；R2是氢原子等；R3是氢原子等。本发明的碳基噻吩化合物或其盐能够诱导TFF的产生，因此可用于治疗和/或预防消化道疾病、口腔疾病、上呼吸道疾病、呼吸道疾病、眼部疾病、癌症和伤口等疾病。
• CARBOSTYRIL COMPOUND
  申请人：Kuroda Takeshi

  公开号：US20100261705A1

  公开（公告）日：2010-10-14

  The present invention provides a carbostyril compound represented by General Formula (1) or a salt thereof, wherein A is a direct bond, a lower alkylene group, or a lower alkylidene group; X is an oxygen atom or a sulfur atom; R 4 and R 5 each represent a hydrogen atom; the bond between the 3 and 4 positions of the carbostyril skeleton is a single bond or a double bond; R 1 is a hydrogen atom, etc; R 2 is a hydrogen atom, etc; and R 3 is a hydrogen atom, etc. The carbostyril compound or salt thereof of the present invention induces the production of TFF, and thus is usable for the treatment and/or prevention of disorders such as alimentary tract diseases, oral diseases, upper respiratory tract diseases, respiratory tract diseases, eye diseases, cancers, and wounds.

  本发明提供了一种由通式（1）表示的羧基苯基咔唑化合物或其盐，其中A表示直接键，较低的烷基烷基或较低的烷基亚甲基烷基；X表示氧原子或硫原子；R4和R5各代表氢原子；羧基苯基咔唑骨架的3和4位置之间的键是单键或双键；R1是氢原子等；R2是氢原子等；R3是氢原子等。本发明的羧基苯基咔唑化合物或其盐可诱导TFF的产生，因此可用于治疗和/或预防消化道疾病、口腔疾病、上呼吸道疾病、呼吸道疾病、眼部疾病、癌症和创伤等疾病。
• DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS
  申请人：YAMASHITA Hiroshi

  公开号：US20120028920A1

  公开（公告）日：2012-02-02

  A heterocyclic compound or a salt thereof represented by the formula (1): where R 2 represents a hydrogen atom or a lower alkyl group; A represents a lower alkylene group or lower alkenylene group; and R 1 represents an aromatic group or a heterocyclic group. The compound of the present invention has a wide treatment spectrum for mental disorders including central nervous system disorders, no side effects and high safety.

  一种由式（1）所表示的杂环化合物或其盐：其中R2代表氢原子或较低的烷基基团；A代表较低的烷基烯基基团；R1代表芳香基团或杂环基团。本发明的化合物具有广泛的治疗精神障碍的光谱，包括中枢神经系统障碍，无副作用且安全性高。
• QUINAZOLINEDIONES AND THEIR USE
  申请人：Liu Dong

  公开号：US20140031358A1

  公开（公告）日：2014-01-30

  The present invention discloses compounds of formula (I), or pharmaceutically acceptable salts or prodrugs thereof, which inhibit the poly(ADP-ribose) polymerases (PARP) and therefore are useful for treating diseases, disorders, and conditions related to PARP. The present invention also discloses pharmaceutical compositions comprising a compound of formula (I), and methods of using such compounds to inhibit PARP enzymes, and to treat diseases, disorders, and conditions related to PARP.

  本发明揭示了式（I）的化合物，或其药学上可接受的盐或前药，其抑制聚（ADP-核糖）聚合酶（PARP），因此可用于治疗与PARP相关的疾病，障碍和病况。本发明还揭示了包含式（I）化合物的药物组合物，以及使用这些化合物抑制PARP酶，并治疗与PARP相关的疾病，障碍和病况的方法。