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Study on crystal structure and crystal habit of tofacitinib enantiomer
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Hao-yue GUAN1, Jing-wen SUN2, Jian-zhao NIU1, *
Chinese Journal of New Drugs | 2026, 35(7) : 749 - 753
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Chinese Journal of New Drugs | 2026, 35(7): 749-753
Study on crystal structure and crystal habit of tofacitinib enantiomer
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Hao-yue GUAN1, Jing-wen SUN2, Jian-zhao NIU1, *
Affiliations
  • 1National Institutes for Food and Drug Control, Beijing 100050, China
  • 2Research Institute of Petroleum Exploration and Development, Beijing 100083, China
Published: 2026-04-15 doi: 10.20251/j.cnki.1003-3734.2026.07.011
Outline
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Objective:

To investigate the key solvents influencing the crystallization process of tofacitinib enantiomer and to explore the dominant crystal form.

Methods:

Recrystallization and suspension competition methods were used to study the crystallization of tofacitinib enantiomer in different solvents. Powder X-ray diffraction and infrared spectroscopy were used to characterize the crystalline forms of tofacitinib enantiomer. The crystal structure and crystal habit of tofacitinib enantiomer were simulated.

Results:

The tofacitinib enantiomer synthesized by ethanol was stable. The crystal characterization parameters can be used as an index to measure the raw material quality of tofacitinib enantiomer. The cell parameters of tofacitinib enantiomer are a=8.559 1, b=27.011 4, c=7.157 5, α=γ=90°, β=68.210 1, belonging to the single monoclinic system with the space group P21/c.

Conclusion:

Using ethanol as the crystallization solvent can effectively synthesize the dominant crystal form, so as to establish a crystallization process system more suitable for tofacitinib enantiomer, providing a theoretical basis and demonstration effect for the preparation of tofacitinib enantiomer.

tofacitinib enantiomer  /  polymorph  /  suspension competition  /  crystal habit
关皓月, 孙婧雯, 牛剑钊. 托法替尼SS异构体晶型结晶工艺及晶习研究. 中国新药杂志, 2026 , 35 (7) : 749 -753 . DOI: 10.20251/j.cnki.1003-3734.2026.07.011
Hao-yue GUAN, Jing-wen SUN, Jian-zhao NIU. Study on crystal structure and crystal habit of tofacitinib enantiomer[J]. Chinese Journal of New Drugs, 2026 , 35 (7) : 749 -753 . DOI: 10.20251/j.cnki.1003-3734.2026.07.011
Year 2026 volume 35 Issue 7
35
8
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Article Info
doi: 10.20251/j.cnki.1003-3734.2026.07.011
  • Online Date:2026-10-26
  • Published:2026-04-15
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History
  • Accepted:2025-07-17
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    1National Institutes for Food and Drug Control, Beijing 100050, China
    2Research Institute of Petroleum Exploration and Development, Beijing 100083, China
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表12种不同金属材料的力学参数
科
Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)
属
Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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