-5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: -5-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
• 英文别名: 5-[[(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one；3-[[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
• 化学式: C₂₃H₂₁F₇N₄O₃
• 分子量: 534.434
• InChiKey: ATALOFNDEOCMKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• PROCESS FOR THE PREPARATION OF APREPITANT
  申请人：Nath Asok

  公开号：US20100004242A1

  公开（公告）日：2010-01-07

  The present invention relates to a highly pure (2R,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl 3,5-bis(trifluoromethyl)benzoate of Formula II, and a process for its preparation. The present invention further provides a process for preparation of Aprepitant of Formula I or pharmaceutically acceptable salt thereof, using the highly pure compound of Formula II. The present invention also provides a process for preparation of Aprepitant of Formula I or pharmaceutically acceptable salt thereof which comprises of cyclising the compound of Formula VII at elevated temperature, in the absence of solvent.

  本发明涉及一种高度纯净的(2R,3S)-4-苄基-3-(4-氟苯基)吗啡啶-2-基3,5-双(三氟甲基)苯甲酸酯（式II），以及其制备方法。本发明还提供了一种使用式II高度纯净化合物制备式I或其药学上可接受的盐的阿普利坦的方法。本发明还提供了一种制备式I或其药学上可接受的盐的阿普利坦的方法，其中包括在无溶剂存在下，在高温下使式VII的化合物环化。
• PREPARATION OF APREPITANT
  申请人：Vankawala Pravinchandra Jayantilal

  公开号：US20110094321A1

  公开（公告）日：2011-04-28

  A process for preparing aprepitant.

  制备阿普利坦的过程。
• METHOD FOR PRODUCING SULFONYL CHLORIDE COMPOUND
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20160009646A1

  公开（公告）日：2016-01-14

  An object of the present invention is to provide a production method of an intermediate used in the production method of a sulfonylpyrrole compound useful as a pharmaceutical product. The present invention relates to a method of producing sulfonylpyrrole compound (VI) by reacting a pyridine-3-sulfonic acid compound with phosphorus pentachloride in a solvent of chlorobenzene or trifluoromethylbenzene to give a pyridine-3-sulfonyl chloride compound, reacting the compound without isolation with compound (III) to give compound (IV), and subjecting the compound (IV) to a reductive amination reaction. wherein R 2 is a hydrocarbon group etc. and R 3 and R 4 are each a hydrogen atom etc., wherein R 1 is an optionally substituted pyridin-3-yl group, and the other symbols are as defined above, wherein R 5 is an alkyl group and the other symbols are as defined above.

  本发明的目的是提供一种用于制备作为药物产品有用的磺酰基吡咯化合物制备方法中所使用的中间体的生产方法。本发明涉及一种通过在氯代苯或三氟甲基苯溶剂中将吡啶-3-磺酸化合物与五氯化磷反应以得到吡啶-3-磺酰氯化合物，将该化合物在不分离的情况下与化合物(III)反应以得到化合物(IV)，并将化合物(IV)进行还原胺化反应以制备磺酰基吡咯化合物(VI)的方法。其中，R2是一个碳氢基团等，R3和R4分别是氢原子等，R1是一个可选取代的吡啶-3-基基团，其它符号如上所定义，其中R5是一个烷基团，其它符号如上所定义。
• Photostabilized pharmaceutical composition
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2564833A1

  公开（公告）日：2013-03-06

  The present invention provides a solid preparation containing a stabilized pharmaceutically active ingredient and a stabilizing method thereof. According to the present invention, a solid preparation containing a pharmaceutically active ingredient, titanium oxide, a plasticizer and a chain organic acid can enhance the stability of the pharmaceutically active ingredient during light irradiation.

  本发明提供了一种含有稳定药用活性成分的固体制剂及其稳定方法。 根据本发明，一种含有药物活性成分、氧化钛、增塑剂和链状有机酸的固体制剂可以增强药物活性成分在光照下的稳定性。
• ANTAGONISTS OF NK1 RECEPTORS DERIVED FROM CARBOHYDRATES, PRODUCTION METHOD AND MEDICAL USE
  申请人：Consejo Superior de Investigaciones Científicas (CSIC)

  公开号：EP3305797A1

  公开（公告）日：2018-04-11

  The invention relates to a compound of general formula (I), and to the use thereof in medicine, or for the production of a medicament for the treatment of different diseases, preferably a cancer such as melanoma, lung carcinoma or breast cancer. For this purpose, the invention also relates to a pharmaceutical composition comprising said compound. In addition, the invention relates to a method for producing the compound of general formula (I).

  本发明涉及通式(I)化合物及其在医学中的用途，或用于生产治疗不同疾病的药物，最好是治疗癌症，如黑色素瘤、肺癌或乳腺癌。为此，本发明还涉及一种包含上述化合物的药物组合物。此外，本发明还涉及一种生产通式（I）化合物的方法。