کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10553987 | 967947 | 2005 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
2D NMR and conformational analysis of a prototype anti-tumour steroidal ester
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
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چکیده انگلیسی
The synthetic 3β-hydroxy-17α-aza-d-homo-5-androsten-7,17-dione-p-N-N-bis(2-chloroethyl)aminophenylacetate (SOT-19, I) was found to be a very potent anti-leukaemic agent candidate. Its high biological activity and low toxicity rationalize the study of its conformational properties. It can also serve as a prototype and therefore as a template for a series of congener compounds possessing a variety of toxicity and anti-leukaemic activity in subsequent 3D-QSAR studies. Its low energy conformers were identified through a combination of conformational search methods and 2D NOESY NMR spectroscopy. The low energy conformers were mainly compact, with the alkylating aromatic group orienting either to the α- or β-surface of the steroidal plane. The preference in the orientation of the alkyl chain may be steroid dependent and related to the mechanism by which they produce their anti-leukaemic action. This hypothesis is supported by the fact that small chemical modifications of the conformation on the steroidal skeleton produce significant alterations on the anti-leukemic activity.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Pharmaceutical and Biomedical Analysis - Volume 38, Issue 3, 1 July 2005, Pages 428-434
Journal: Journal of Pharmaceutical and Biomedical Analysis - Volume 38, Issue 3, 1 July 2005, Pages 428-434
نویسندگان
Agnes Kapou, Manolis A. Fousteris, Sotiris S. Nikolaropoulos, Maria Zervou, Simona G. Grdadolnik, Panagiotis Zoumpoulakis, Ioanna Kyrikou, Thomas Mavromoustakos,