Буксбодин Б

Description

Buxbodine B is a steroidal (pregnane) alkaloid isolated from the aerial parts of the box tree Buxus bodinieri Levl (Buxus family, Buxaceae). Structurally, it belongs to 9,19-cyclopregnane alkaloids: 16β-hydroxy-20α-dimethylamino-9β,19-cyclo-4,4,14α-trimethyl-5α-pregn-1(2)-en-3-one. Molecular formula C26H41NO2, CAS number 390362-51-3. The name of the genus of alkaloids “buxus” comes from the Latin name of the producing plant.

Basic Attributes

• CAS No: 390362-51-3
• Chemical formula: C26H41NO2
• Molecular weight: 399.6
• Exact weight: 399.313721
• PSA Specifications: 40.54000
• XLogP3: 4.17

Physico-chemical characteristics

• Density: 1.1±0.1 g/cm3
• Boiling point: 501.7±50.0 °C at 760 mm Hg. Art.
• Flash point: 257.2±30.1°C
• Refractive index: 1.567

The high boiling point (501.7 °C) and the XLogP3 value of about 4.17 indicate low volatility and pronounced lipophilicity of the molecule - a typical combination for triterpenoid alkaloids with a bulky steroid framework and branched amino groups. A density of about 1.1 g/cm3 is typical for solid organic bases of this class.

Biological activity and applications

Buxbodin B has been studied as an acetylcholinesterase inhibitor: shows weak to moderate activity in this regard, IC50 in the range of 10.8–98 μM depending on test conditions. Like other triterpenoid alkaloids of the Buxus genus, the substance is being studied for cytotoxicity screening against tumor cell lines. Practical application - analytical standard and reference substance for phytochemical and pharmacological studies of boxwood alkaloids, as well as raw materials for constructing structure-activity relationships in the series of cyclopregnane alkaloids. Related compounds of this series - buxbodin D and cyclovirobuxin - are being studied in the same direction, which makes it possible to use buxbodin B as a comparison unit when constructing activity maps of the entire group.

Storage and transportation

Information on the GHS classification, UN transport codes and maximum permissible concentrations for this substance is not given in the source - as a low-volume research reagent, the substance does not have a published passport hazard classification. Like most solid alkaloids of plant origin, it is stored in an airtight container, in a cool, dry place, away from light, away from acids and oxidizing agents; transported as non-food chemical raw materials for laboratory use; during transportation, protection from shocks and temperature changes is required to maintain the stability of the structure. Batches are typically supplied in milligram and gram quantities, packaged in ampoules or vials under an inert atmosphere, which further reduces the risk of tertiary amine oxidation during long-term storage.

Identification and authenticity

To confirm the authenticity of a batch, a combination of the exact mass (399.313721), molecular weight (399.6) and refractive index (1.567) is used in comparison with the reference sample; the discrepancy between these parameters and the passport values ​​is the basis for additional verification using NMR or high-resolution mass spectrometry.