1155361-07-1

Basic information

• Product Name: CytochroMe P450 14a-deMethylase inhibitor 1i
• Synonyms: CytochroMe P450 14a-deMethylase inhibitor 1i
• CAS NO: 1155361-07-1
• Molecular Formula: C₂₁H₂₁BrF₂N₄O
• Molecular Weight: 463.3184464
• Mol File: 1155361-07-1.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: CytochroMe P450 14a-deMethylase inhibitor 1i(CAS DataBase Reference)
• NIST Chemistry Reference: CytochroMe P450 14a-deMethylase inhibitor 1i(1155361-07-1)
• EPA Substance Registry System: CytochroMe P450 14a-deMethylase inhibitor 1i(1155361-07-1)

Safety Data

• Hazardous Substances Data: 1155361-07-1(Hazardous Substances Data)

Usage

Description

Cytochrome P450 14a-demethylase inhibitor 1i is a chemical compound that functions as an inhibitor of the enzyme cytochrome P450 14a-demethylase. This enzyme plays a crucial role in the biosynthesis of sterol molecules, which are vital for the cell membrane structure in various organisms, particularly fungi. By inhibiting the enzyme, the compound can interfere with sterol synthesis, leading to compromised cell membrane function and the eventual demise of fungal cells.

Uses

Used in Pharmaceutical Industry:
Cytochrome P450 14a-demethylase inhibitor 1i is used as a potential antifungal agent for targeting the specific enzyme cytochrome P450 14a-demethylase. Its ability to disrupt sterol synthesis and impair cell membrane function makes it a promising candidate for developing new antifungal drugs, offering an innovative approach to treat fungal infections.

Upstream product

• 1155360-98-7 C₁₄H₁₆F₂N₄O*ClH 
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Relevant articles and documents

Design, synthesis, and biological evaluation of novel triazole derivatives as inhibitors of cytochrome P450 14α-demethylase

Based on the results of computational docking to the active site of the cytochrome P450 14α-demethylase (CYP51), a series of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols as analogs of fluconazole were designed, synthesized, and evaluated as antifungal agents. The MIC80 values indicate that compounds 1a-n exhibited higher activity against nearly all fungi tested except Aspergillus fumigatus than fluconazole, while compounds 2a-f, 3a-f showed no activity or only moderate activity against all fungi tested. Noticeably, the MIC value of compounds 1a, 1b and 1g is 64 times lower than that of fluconazole against Microsporum gypseum in vitro. And compounds 1a, 1b and 2b showed 128 times higher activity (with the MIC80 value of 0.0039 μg/mL) than that of fluconazole against Candida albicans and also showed higher activity than that of the other positive controls. Computational docking experiments indicated that the inhibition of CYP51 involves a coordination bond with iron of the heme group, the hydrophilic H-bonding region, the hydrophobic region, and the narrow hydrophobic cleft. In addition, the activity of the compounds would be enhanced when the side chains were shorter.