(2E)-1-[5,6-二氢-3-(三氟甲基)-1,2,4-三唑并[4,3-a]吡嗪-7(8H)-基]-4-(2,4,5-三氟苯基)-2-丁烯-1-酮 | 1253056-18-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 中文名称: (2E)-1-[5,6-二氢-3-(三氟甲基)-1,2,4-三唑并[4,3-a]吡嗪-7(8H)-基]-4-(2,4,5-三氟苯基)-2-丁烯-1-酮
• 英文名称: Sitagliptin Deamino Impurity 1
• 英文别名: (E)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)but-2-en-1-one
• CAS: 1253056-18-6
• 化学式: C₁₆H₁₂F₆N₄O
• 分子量: 390.28
• InChiKey: QSSHJJFVCWMIKH-HNQUOIGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  51
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• EXPEDIENT SYNTHESIS OF SITAGLIPTIN
  申请人：STEREOKEM, INC.

  公开号：US20170183351A1

  公开（公告）日：2017-06-29

  Novel intermediates are disclosed as intermediates for preparation of a Sitagliptin. A novel synthetic method to prepare Sitagliptin using the said intermediates is also disclosed.

  本发明揭示了用于制备西格列汀的新型中间体。还揭示了使用所述中间体制备西格列汀的新型合成方法。
• ORAL GLIPTIN COMPOSITIONS AND METHOD FOR PREPARATION THEREOF
  申请人：AUTHENDA PHARMACEUTICALS AG

  公开号：US20220387427A1

  公开（公告）日：2022-12-08

  Described is an aqueous liquid oral gliptin composition comprising a gliptin or a pharmaceutically acceptable salt or ester thereof, and an artificial non-sugar alcohol sweetening agent, the solution having a sugar alcohol content of less than 25 w/v %. The composition has an improved taste and stability as compared to known compositions. Also described is a method comprising the steps of heating 80-95 v/v % of the water to 40-65° C., admixing the antioxidant, and, if present, the chelating agent and buffering agent, optionally, cooling down to 25-35° C., admixing sweetener, and, if present, preservative agent, and optionally pH adjusting agent or a portion of the pH adjusting agent, admixing the gliptin, if necessary, adjust the pH to the envisaged value by addition of a pH adjusting agent, admix the thickening agent, optionally in the form of a solution of the thickening agent in a co-solvent, homogenising the obtained mixture, admixing, if present, the wetting agent, if necessary, adjust the final volume by adding from the rest of the water, optionally filter through a 10 μm sieve, and filling in an appropriate container.
• US9938282B2
  申请人：——

  公开号：US9938282B2

  公开（公告）日：2018-04-10
• [EN] PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE LA SITAGLIPTINE ET DE SES INTERMÉDIAIRES
  申请人：MSN LAB LTD

  公开号：WO2010122578A2

  公开（公告）日：2010-10-28

  Improved processes for the preparation of Sitagliptin compound of formula-1 and its intermediates are provided.
• [EN] PREPARATION OF SITAGLIPTIN AND SALTS THEREOF<br/>[FR] PRÉPARATION DE LA SITAGLIPTINE ET DE SES SELS
  申请人：REDDYS LAB LTD DR

  公开号：WO2011060213A2

  公开（公告）日：2011-05-19

  Processes for preparing sitagliptin and its pharmaceutically acceptable salts, and process intermediates.