1352328-67-6

Basic information

• Product Name: benzyl 3α,7α-dihydroxy-6-ethyliden-5β-cholan-24-oate
• Synonyms: benzyl 3α,7α-dihydroxy-6-ethyliden-5β-cholan-24-oate;OCA-G1
• CAS NO: 1352328-67-6
• Molecular Formula: C₃₃H₄₈O₄
• Molecular Weight: 508.73
• Mol File: 1352328-67-6.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 612.6±50.0 °C(Predicted)
• Appearance: /
• Density: 1.127±0.06 g/cm3(Predicted)
• PKA: 14.19±0.70(Predicted)
• CAS DataBase Reference: benzyl 3α,7α-dihydroxy-6-ethyliden-5β-cholan-24-oate(CAS DataBase Reference)
• NIST Chemistry Reference: benzyl 3α,7α-dihydroxy-6-ethyliden-5β-cholan-24-oate(1352328-67-6)
• EPA Substance Registry System: benzyl 3α,7α-dihydroxy-6-ethyliden-5β-cholan-24-oate(1352328-67-6)

Safety Data

• Hazardous Substances Data: 1352328-67-6(Hazardous Substances Data)

Usage

General Description

Benzyl 3α,7α-dihydroxy-6-ethyliden-5β-cholan-24-oate is a chemical compound that belongs to the class of bile acids. Bile acids are essential for the digestion and absorption of dietary fats and are primarily produced in the liver. This specific compound contains hydroxyl groups at the 3α and 7α positions, an ethyliden substituent at the 6 position, and an ester linkage at the 24 position. The presence of these functional groups and the specific arrangement of the carbon atoms in the steroid ring system contribute to its biological activity. benzyl 3α,7α-dihydroxy-6-ethyliden-5β-cholan-24-oate may have potential applications in the pharmaceutical or medical industry due to its unique structure and potential physiological effects.

Upstream product

• 1352328-66-5 3α-hydroxy-6-ethylidene-7-oxo-5β-cholanoic acid benzyl ester 

Relevant articles and documents

Conicasterol E, a small heterodimer partner sparing farnesoid X receptor modulator endowed with a pregnane X receptor agonistic activity, from the marine sponge Theonella swinhoei

We report the isolation and pharmacological characterization of conicasterol E isolated from the marine sponge Theonella swinhoei. Pharmacological characterization of this steroid in comparison to CDCA, a natural FXR ligand, and 6-ECDCA, a synthetic FXR agonist generated by an improved synthetic strategy, and rifaximin, a potent PXR agonist, demonstrated that conicasterol E is an FXR modulator endowed with PXR agonistic activity. Conicasterol E induces the expression of genes involved in bile acids detoxification without effect on the expression of small heterodimer partner (SHP), thus sparing the expression of genes involved in bile acids biosynthesis. The relative positioning in the ligand binding domain of FXR, explored through docking calculations, demonstrated a different spatial arrangement for conicasterol E and pointed to the presence of simultaneous and efficient interactions with the receptor. In summary, conicasterol E represents a FXR modulator and PXR agonist that might hold utility in treatment of liver disorders.