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Convergent total synthesis of (+)-calcipotriol: A scalable, modular approach to vitamin D analogs

A convergent approach for the total synthesis of calcipotriol (brand name: Dovonex), a proven vitamin D analog used for the treatment of psoriasis, and medicinally relevant synthetic analogs is described. A complete approach, not wedded to semisynthesis, toward both the A-ring and CD-ring is reporte...

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Autores principales: Gu, Jieyu, Rodriguez, Kevin X., Kanda, Yuzuru, Yang, Shenghua, Ociepa, Michal, Wilke, Henrik, Abrishami, Arteen V., Jørgensen, Lars, Skak-Nielsen, Tine, Chen, Jason S., Baran, Phil S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9170165/
https://www.ncbi.nlm.nih.gov/pubmed/35476519
http://dx.doi.org/10.1073/pnas.2200814119
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author Gu, Jieyu
Rodriguez, Kevin X.
Kanda, Yuzuru
Yang, Shenghua
Ociepa, Michal
Wilke, Henrik
Abrishami, Arteen V.
Jørgensen, Lars
Skak-Nielsen, Tine
Chen, Jason S.
Baran, Phil S.
author_facet Gu, Jieyu
Rodriguez, Kevin X.
Kanda, Yuzuru
Yang, Shenghua
Ociepa, Michal
Wilke, Henrik
Abrishami, Arteen V.
Jørgensen, Lars
Skak-Nielsen, Tine
Chen, Jason S.
Baran, Phil S.
author_sort Gu, Jieyu
collection PubMed
description A convergent approach for the total synthesis of calcipotriol (brand name: Dovonex), a proven vitamin D analog used for the treatment of psoriasis, and medicinally relevant synthetic analogs is described. A complete approach, not wedded to semisynthesis, toward both the A-ring and CD-ring is reported. From a retrosynthetic standpoint, hidden symmetry within the decorated A-ring is disclosed, which allowed for scalable quantities of this advanced intermediate. In addition, a radical retrosynthetic approach is described, which highlights an electrochemical reductive coupling as well as an intramolecular hydrogen atom transfer Giese addition to establish the 6,5-transcarbon skeleton found in the vitamin D family. Finally, a late-stage decarboxylative cross-coupling approach allowed for the facile preparation of various C20-arylated derivatives that show promising biological activity in an initial bioassay.
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spelling pubmed-91701652022-10-27 Convergent total synthesis of (+)-calcipotriol: A scalable, modular approach to vitamin D analogs Gu, Jieyu Rodriguez, Kevin X. Kanda, Yuzuru Yang, Shenghua Ociepa, Michal Wilke, Henrik Abrishami, Arteen V. Jørgensen, Lars Skak-Nielsen, Tine Chen, Jason S. Baran, Phil S. Proc Natl Acad Sci U S A Physical Sciences A convergent approach for the total synthesis of calcipotriol (brand name: Dovonex), a proven vitamin D analog used for the treatment of psoriasis, and medicinally relevant synthetic analogs is described. A complete approach, not wedded to semisynthesis, toward both the A-ring and CD-ring is reported. From a retrosynthetic standpoint, hidden symmetry within the decorated A-ring is disclosed, which allowed for scalable quantities of this advanced intermediate. In addition, a radical retrosynthetic approach is described, which highlights an electrochemical reductive coupling as well as an intramolecular hydrogen atom transfer Giese addition to establish the 6,5-transcarbon skeleton found in the vitamin D family. Finally, a late-stage decarboxylative cross-coupling approach allowed for the facile preparation of various C20-arylated derivatives that show promising biological activity in an initial bioassay. National Academy of Sciences 2022-04-27 2022-05-03 /pmc/articles/PMC9170165/ /pubmed/35476519 http://dx.doi.org/10.1073/pnas.2200814119 Text en Copyright © 2022 the Author(s). Published by PNAS. https://creativecommons.org/licenses/by-nc-nd/4.0/This article is distributed under Creative Commons Attribution-NonCommercial-NoDerivatives License 4.0 (CC BY-NC-ND) (https://creativecommons.org/licenses/by-nc-nd/4.0/) .
spellingShingle Physical Sciences
Gu, Jieyu
Rodriguez, Kevin X.
Kanda, Yuzuru
Yang, Shenghua
Ociepa, Michal
Wilke, Henrik
Abrishami, Arteen V.
Jørgensen, Lars
Skak-Nielsen, Tine
Chen, Jason S.
Baran, Phil S.
Convergent total synthesis of (+)-calcipotriol: A scalable, modular approach to vitamin D analogs
title Convergent total synthesis of (+)-calcipotriol: A scalable, modular approach to vitamin D analogs
title_full Convergent total synthesis of (+)-calcipotriol: A scalable, modular approach to vitamin D analogs
title_fullStr Convergent total synthesis of (+)-calcipotriol: A scalable, modular approach to vitamin D analogs
title_full_unstemmed Convergent total synthesis of (+)-calcipotriol: A scalable, modular approach to vitamin D analogs
title_short Convergent total synthesis of (+)-calcipotriol: A scalable, modular approach to vitamin D analogs
title_sort convergent total synthesis of (+)-calcipotriol: a scalable, modular approach to vitamin d analogs
topic Physical Sciences
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9170165/
https://www.ncbi.nlm.nih.gov/pubmed/35476519
http://dx.doi.org/10.1073/pnas.2200814119
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