Expeditious synthesis of isolated Steroids-Fluorine prodrugs, their single crystal X-ray crystallography, DFT studies and mathematical modeling (Record no. 19282)
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| control field | OSt |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20230503131209.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 230503b xxu||||| |||| 00| 0 eng d |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | AIKTC-KRRC |
| Transcribing agency | AIKTC-KRRC |
| 100 ## - MAIN ENTRY--PERSONAL NAME | |
| 9 (RLIN) | 11048 |
| Author | Sethi, Arun |
| 245 ## - TITLE STATEMENT | |
| Title | Expeditious synthesis of isolated Steroids-Fluorine prodrugs, their single crystal X-ray crystallography, DFT studies and mathematical modeling |
| 250 ## - EDITION STATEMENT | |
| Volume, Issue number | Vol.61(8), Aug |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Place of publication, distribution, etc. | New Delhi |
| Name of publisher, distributor, etc. | CSIR |
| Year | 2022 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Pagination | 831-841p. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | In the present research article, we have synthesized novel steroidal-fluorine prodrugs using cholesterol (1), stigmasterol (4) and hydrocortisone acetate (7) isolated from the flowers of Allamanda violacea. These isolated compounds were converted into their fluorinated prodrugs Cholest-5-en-3β-yl-2-fluoro-benzoate (2), Cholest-5-en-3β-yl-4-fluoro-benzoate (3), 24α-ethylcholest-5, 22E-dien-3β-yl-2-fluoro benzoate (5), 24α-ethylcholest-5, 22E-dien-3β-yl-4-fluoro benzoate (6), 11, 17-dihydroxy-21-(2-fluoro benzoyloxy)-pregn-4-en-3, 20-dione (8) and 11, 17-dihydroxy-21-(4-fluoro benzoyloxy)-pregn-4-en-3, 20-dione (9). We also synthesized fluorinated prodrugs 25R-spirost-5-en-3β-yl-2-fluoro-benzoate (11) and 25R-spirost-5-en-3β-yl-4-fluoro-benzoate (12) from diosgenin (10) a steroidal sapogenin. The structure and stereochemistry of 25R-spirost-5-en-3β-yl-4-fluoro-benzoate (12) was confirmed with help of single crystal X-ray crystallography. The characterization of compounds have been carried out with the help of 1H, 13C NMR, FT-IR spectroscopy and mass spectrometry. Density functional theory (DFT) with 6-31G (d, p) basis set and B3LYP functional has been used for the Quantum chemical calculations. Global reactivity descriptors have also been calculated to find the electrophilicity and nucleophilicity of a molecule. Dipole moment, polarizability and first static hyperpolarizability have been calculated to get NLO properties of synthesized prodrugs. Lastly a nonlinear mathematical model has been proposed and analyzed to study the effect of catalysts on these reactions. Local and global stability analysis of the mathematical model along with the persistence of the system was checked using theory of nonlinear ordinary differential equations.<br/> |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| 9 (RLIN) | 5009 |
| Topical term or geographic name entry element | GENERAL CHEMISTRY |
| 700 ## - ADDED ENTRY--PERSONAL NAME | |
| 9 (RLIN) | 20645 |
| Co-Author | Amandeep, Amandeep |
| 773 0# - HOST ITEM ENTRY | |
| Title | Indian journal of chemistry (Section B) |
| Place, publisher, and date of publication | New Delhi NISCAIR-CSIR 2005 |
| International Standard Serial Number | 0019-5103 |
| 856 ## - ELECTRONIC LOCATION AND ACCESS | |
| URL | http://op.niscair.res.in/index.php/IJC/article/view/65025 |
| Link text | Click here |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Source of classification or shelving scheme | Dewey Decimal Classification |
| Koha item type | Articles Abstract Database |
| Withdrawn status | Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Home library | Current library | Shelving location | Date acquired | Total Checkouts | Barcode | Date last seen | Price effective from | Koha item type |
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| Dewey Decimal Classification | School of Pharmacy | School of Pharmacy | Archieval Section | 03/05/2023 | 2023-0789 | 03/05/2023 | 03/05/2023 | Articles Abstract Database |