23-yne Vitamin D3 Derivative for Osteoporosis Treatment
Find Innovative SolutionsGenerate Solutions
Solution Overview
Problem
Existing vitamin D3 derivatives do not effectively increase bone mineral density without elevating serum calcium levels, leading to unsatisfactory treatment outcomes for conditions like osteoporosis.
Innovation Solution
A novel vitamin D3 derivative represented by the formula (1) or its medicinally acceptable solvate, which is effective in treating osteoporosis and other conditions without significantly increasing serum calcium levels, is developed. This derivative is synthesized using specific methods and solvents, and formulated into pharmaceutical compositions for various administration routes.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Quantity of substance
If the dose of activated vitamin D3 derivatives is increased to increase bone mineral density, then bone mineral density increases, but serum calcium value increases excessively
Solution Approach 1:
The patent applies parameter changes by modifying the chemical structure of vitamin D3 derivatives, specifically introducing a triple bond at position 22 or 23 and various substituents at positions 1, 2, 3, 6, 19, 20, 21, and 26. These structural parameter changes create analogs with improved pharmacological profiles that enhance bone mineral density while minimizing serum calcium elevation, as demonstrated by compounds of formula (1) and their salts
Solution Approach 2:
The patent applies local quality by introducing specific functional groups at particular positions on the vitamin D3 molecule. For example, placing a triple bond at position 22 or 23, adding hydroxyl groups at specific positions, or introducing alkyl groups at position 1 creates localized structural modifications that selectively enhance bone-targeted effects while reducing systemic calcium mobilization
2Reliability
If existing vitamin D3 derivatives are used to treat osteoporosis, then bone remodeling is regulated, but treatment outcomes are unsatisfactory due to insufficient bone mineral density increase
Solution Approach 1:
The patent applies parameter changes by systematically varying the substitution patterns on the vitamin D3 core structure. Compounds with specific combinations of substituents (e.g., R1 = H or alkyl, R2 = H or alkyl, R3 = H or alkyl, with triple bonds at positions 22 or 23) demonstrate superior efficacy in increasing bone mineral density compared to conventional vitamin D3 derivatives, thereby improving treatment reliability for osteoporosis
Data Source
AI summary
To provide a novel vitamin D3 derivative useful as a therapeutic agent for osteoporosis. Provided is a vitamin D3 derivative represented by the following formula (1) or a medicinally acceptable solvate thereof: wherein R1 represents a hydrogen atom, an alkyl group having 1 to 6 carbon atoms, an alkylcarbonyloxyalkyl group with each alkyl having 1 to 6 carbon atoms, or an arylcarbonyloxyalkyl group with the aryl having 6 to 10 carbon atoms and the alkyl having 1 to 6 carbon atoms; R2 represents a hydrogen atom or an alkyl group having 1 to 6 carbon atoms or, together with the other R2 and the carbon atom to which they are bound to, may form a cyclic alkyl group having 3 to 6 carbon atoms; R3 represents an alkyl group having 1 to 6 carbon atoms or, together with the other R3 and the carbon atom to which they are bound to, may form a cyclic alkyl group having 3 to 6 carbon atoms; X represents an oxygen atom or a methylene group; and n represents an integer of 1 or 2.