3α-Hydroxy-N-(3-hydroxypropyl)-5β-cholan-24-amide

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3α-Hydr­oxy-N-(3-hydroxy­prop­yl)-5β-cholan-24-amide

The title compound, C(27)H(47)NO(3), is a (3-hydroxy-prop-yl)amide derivative of naturally occurring enanti-opure lithocholic acid (3α-hydr-oxy-5β-cholan-24-oic acid). The mol-ecule contains four fused rings: three six-membered rings in chair conformations and one five-membered ring in a half-chair form. The two terminal six-membered rings are cis-fused, while other rings are trans-fused. The s...

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Structural, Thermoanalytical and Molecular Modeling Studies on N-(3-hydroxypropyl) 3a,12a-Dihydroxy-5ß-cholan-24-amide and Its Monohydrates

The synthetic method for preparing N-(3-hydroxypropyl) 3α,12α-dihydroxy-5βcholan-24-amide can lead to formation of at least three different crystal forms – an anhydrous compound and two monohydrates. The structural and thermal properties of these forms have been characterized by C-CP/MAS-NMR and IR spectroscopy, thermogravimetry, differential scanning calorimetry and by powder and single crysta...

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Bis[3α,7α,12α-tris­(4-nitro­benzo­yloxy)-5β-cholan-24-yl] disulfide–ethyl acetate–n-hexane (4/4/1)

The crystal structure of the title compound, C(90)H(100)N(6)O(24)S(2)·C(4)H(8)O(2)·0.25C(6)H(14), solved and refined against synchrotron diffraction data, contains two formula units in the asymmetric unit with the all-trans n-hexane mol-ecule having half-occupancy and one of the ethyl acetate mol-ecules disordered over two positions. The two symmetry-independent disulfide mol-ecules are assembl...

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(20R)-24-Bromo-5β-cholane

In the title compound (5S,8R,9R,10R,13S,14S,17R,20R)-24-bromo-5β-cholane, C(24)H(41)Br, the fused-chair conformation of the cyclo-hexane A/B ring junction is cis with a 5β-H configuration.

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Semisynthetic bile acid FXR and TGR5 agonists: physicochemical properties, pharmacokinetics, and metabolism in the rat.

We report on the relationship between the structure-pharmacokinetics, metabolism, and therapeutic activity of semisynthetic bile acid analogs, including 6α-ethyl-3α,7α-dihydroxy-5β-cholan-24-oic acid (a selective farnesoid X receptor [FXR] receptor agonist), 6α-ethyl-23(S)-methyl-3α,7α,12α-trihydroxy-5β-cholan-24-oic acid (a specific Takeda G protein-coupled receptor 5 [TGR5] receptor agonist),...

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online

سال: 2009

ISSN: 1600-5368

DOI: 10.1107/s1600536809006862