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Usage

Uses

Used in Pharmaceutical Industry:
C₁₉H₂₁⁽²⁾H₃O₂ is used as a research compound for studying the role of Estrone and its derivatives in endometrial and breast cancer. Its labeled nature allows for tracking and analysis in various biological assays and experiments.
Used in Cancer Research:
C₁₉H₂₁⁽²⁾H₃O₂ serves as a valuable tool in cancer research, particularly in investigating the mechanisms and pathways through which Estrone and its derivatives may contribute to the development and progression of endometrial and breast cancer.
Used in Drug Development:
As a labeled analogue, C₁₉H₂₁⁽²⁾H₃O₂ can be utilized in the development of potential therapeutic agents targeting Estrone-related pathways in cancer treatment. Its unique properties may aid in the design and optimization of novel drugs with improved efficacy and selectivity.

Upstream product

• 865-50-9 iodomethane-d3 
• 53-16-7 Estrone 

Relevant academic research and scientific papers

Amphidynamic crystals of a steroidal bicyclo[2.2.2]octane rotor: A high symmetry group that rotates faster than smaller methyl and methoxy groups

The synthesis, crystallization, single crystal X-ray structure, and solid state dynamics of molecular rotor 3 provided with a high symmetry order and relatively cylindrical bicyclo[2.2.2]octane (BCO) rotator linked to mestranol fragments were investigated in this work. By use of solid state 13C NMR, three rotating fragments were identified within the molecule: the BCO, the C19 methoxy and the C18 methyl groups. To determine the dynamics of the BCO group in crystals of 3 by variable temperature 1H spin-lattice relaxation (VT 1H T1), we determined the 1H T1 contributions from the methoxy group C19 by carrying out measurements with the methoxy-deuterated isotopologue rotor 3-d6. The contributions from the quaternary methyl group C18 were estimated by considering the differences between the VT 1H T1 of mestranol 8 and methoxy-deuterated mestranol 8-d3. From these studies it was determined that the BCO rotator in 3 has an activation energy of only 1.15 kcal mol-1, with a barrier for site exchange that is smaller than those of methyl (Ea = 1.35 kcal mol-1) and methoxy groups (Ea = 1.92 kcal mol-1), despite their smaller moments of inertia and surface areas.