枸橼酸托法替布的结构确证

  • 杨宇 ,
  • 郭立红 ,
  • 余军厚 ,
  • 张敏敏 ,
  • 张明明 ,
  • 翟立海
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  • 1. 鲁南制药集团股份有限公司,山东 临沂 276005;2. 国家手性制药工程技术研究中心,山东 临沂 273400;3. 泰山学院化学化工学院,山东 泰安 271021

收稿日期: 2026-04-20

  修回日期: 2026-09-01

  录用日期: 2026-09-08

  网络出版日期: 2026-09-08

基金资助

泰山产业领军人才资助项目(tscx202507102); 山东省重点研发计划资助项目(2022CXPT046)

Structural Elucidation of Tofacitinib Citrate

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  • 1. Lunan Pharmaceutical Group Co., Ltd., Linyi 276005, China; 2. National Engineering and Technology Research Center of Chirality Pharmaceutical, Linyi 273400, China; 3. School of Chemistry and Chemical Engineering, Taishan University, Tai’an 271021, China.

Received date: 2026-04-20

  Revised date: 2026-09-01

  Accepted date: 2026-09-08

  Online published: 2026-09-08

Supported by

Taishan Industry Leading Talent Program(tscx202507102); the Key R&D Program of Shandong Province(2022CXPT046)

摘要

枸橼酸托法替布是一种激酶抑制剂,通过调节免疫系统中的信号传导,缓解关节肿胀、疼痛和变形等症状,目前已被应用于类风湿关节炎的治疗. 本文综合运用紫外吸收光谱、红外吸收光谱、质谱、核磁共振波谱(包含1H NMR、13C NMR、DEPT、1H-1H COSY、1H-13C HSQC、1H-13C HMBC和1D-TOCSY)以及单晶衍射等方法对枸橼酸托法替布进行结构分析,对其所有的1H NMR和13C NMR谱信号进行了归属,并通过差示扫描量热法、热重分析及粉末X-射线衍射分析对枸橼酸托法替布晶型进行研究,为枸橼酸托法替布药品安全及质量控制提供了可靠的数据基础.

本文引用格式

杨宇 , 郭立红 , 余军厚 , 张敏敏 , 张明明 , 翟立海 . 枸橼酸托法替布的结构确证[J]. 波谱学杂志, 0 : 0 . DOI: 10.11938/cjmr2026-3217

Abstract

Tofacitinib citrate is a kinase inhibitor that alleviates symptoms such as joint swelling, pain, and deformity by modulating signal transduction in the immune system and it has been applied in the treatment of rheumatoid arthritis. In this study, the structure of tofacitinib citrate was analyzed by ultraviolet absorption spectroscopy, infrared absorption spectroscopy, mass spectrometry, nuclear magnetic resonance spectroscopy (1H NMR, 13C NMR, DEPT, 1H-1H COSY, 1H-13C HSQC, 1H-13C HMBC and 1D-TOCSY) and single crystal diffraction. The 1H and 13C NMR signals of tofacitinib citrate were assigned. In addition, the crystal form of tofacitinib citrate was studied by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA) and powder X-ray diffraction (PXRD).

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