کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
2485639 | 1114362 | 2012 | 14 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
X-Ray Diffraction and Infrared Spectroscopy of N,N- Dimethylformamide and Dimethyl Sulfoxide Solvatomorphs of Betulonic Acid
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کلمات کلیدی
موضوعات مرتبط
علوم پزشکی و سلامت
داروسازی، سم شناسی و علوم دارویی
اکتشاف دارویی
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چکیده انگلیسی
X-ray diffraction and infrared spectroscopy measurements for the N,N-dimethylformamide (DMF) and dimethyl sulfoxide (DMSO) solvatomorphs of betulonic acid (BA) were investigated. BA [3-oxolup-20(29)-en-28-oic acid, C30H46O3] exhibits a wide spectrum of biological activities and is considered to be a promising natural agent for the treatment of various cancer diseases. BA as a noncrystalline substance was obtained by oxidation of betulin. Crystal structures and the spectral data allowed analysis of hydrogen bonding (H-bonding), molecular conformation, and crystal packing differences in the solvatomorphs. Crystals of BA solvates were grown from the DMF-acetone (1:10, v/v) and DMSO-water (9:1, v/v) solutions. BA-DMF (1:1) solvate crystallizes in the monoclinic P21 space group, Z = 2. The unit cell parameters are as follows: cell lengths a = 13.2458(5) Ã
, b = 6.6501(2) Ã
, c = 17.9766(7) Ã
, and β = 110.513(4)°. BA-DMSO (1:1) solvate crystallizes in the orthorhombic P212121 (Z = 4) space group with the following unit cell parameters: a = 6.6484(4) Ã
, b = 13.3279(8) Ã
, and c = 32.6821(19) Ã
. Conformational analysis of the six-membered rings, cyclopentane ring, and isopropenyl group showed differences in comparison with other betulin derivatives examined earlier. For both solvates, the intermolecular packing arrangement was governed mainly by H-bonds. The shortest H-bonds with Dâ¯A distances of 2.604 and 2.657 Ã
, and almost linear DHâ¯A connection occurred between OH of carboxylic group of BA and oxygen atoms from OC and O = S groups of DMF and DMSO, respectively.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Pharmaceutical Sciences - Volume 101, Issue 12, December 2012, Pages 4458-4471
Journal: Journal of Pharmaceutical Sciences - Volume 101, Issue 12, December 2012, Pages 4458-4471
نویسندگان
StanisÅaw Boryczka, Maria Jastrzebska, Ewa BÄbenek, Joachim Kusz, Maciej Zubko, Monika Kadela, Ewa Michalik,