1417782-03-6

1417782-03-6 structure

Name: Mefentrifluconazole
Chemical Name: Mefentrifluconazole
CAS Number: 1417782-03-6
Molecular Formula: C₁₈H₁₅ClF₃N₃O₂
Molecular Weight: 397.77900
Catalog: Signaling Pathways Anti-infection Fungal
Create Date: 2018-01-22 03:08:36
Modify Date: 2024-01-02 14:20:23
Mefentrifluconazole is a novel azole derivative and used as an agrochemical broad-spectrum antifungal agent. Mefentrifluconazole is a potent, selective and orally active fungal CYP51 (Kd= 0.5 nM) inhibitor, but shows less inhibitory activity on human aromatase (IC50=0.92 μM)[1].

Name	Mefentrifluconazole
Synonyms	rac-(2R)-2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol (2RS)-2-[4-(4-chlorophenoxy)-α,α,α-trifluoro-o-tolyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol α-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-α-methyl-1H-1,2,4-triazole-1-ethanol

Description	Mefentrifluconazole is a novel azole derivative and used as an agrochemical broad-spectrum antifungal agent. Mefentrifluconazole is a potent, selective and orally active fungal CYP51 (Kd= 0.5 nM) inhibitor, but shows less inhibitory activity on human aromatase (IC50=0.92 μM)[1].
Related Catalog	Research Areas >> Infection Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Signaling Pathways >> Anti-infection >> Fungal
Target	CYP51A:0.5 nM (Kd)
In Vivo	Mefentrifluconazole undergoes extensive toxicity testing, including a full program of reproductive toxicity studies. Long term repeated dose toxicity and/or carcinogenicity studies have been conducted in rats, mice, and dogs. In each species, the highest dose level investigated gives rise to systemic toxicity[1]. In the acute and repeat dose toxicity studies performed with Mefentrifluconazole. A single-dose administration to rats the LD50 is >2000 mg/kg bwt by the oral route, >5000 mg/kg bwt by the dermal route, and >5.314 mg/L by inhalation as a dust aerosol. Mefentrifluconazole is not a skin or an eye irritant, nor is it a phototoxicant in vitro[1]. In the acute neurotoxicity study in rats, Mefentrifluconazole (oral administration; 2000 mg/kg bwt; single dose) gives rise to reduce body weight gain and transient neurobehavioral effects only on the day of treatment (unsteady gait, reduced motor activity, reduces grip strength of the forelimbs and increased distance between the hind limbs in the landing foot-splay test)[1]. In the repeated-dose toxicity studies, the liver is the target organ in each of the three species investigated. At higher dose levels in the rat (oral diets; 383/334 mg/kg/bwt/d (4000 ppm)) and the C57BL/6JRj mouse (61 mg/kg bwt/d (300 ppm)), reduces body weight gain and food consumption, alters clinical chemistry parameters, increases liver weight and is accompanied by liver cell hypertrophy, and/or liver cell necrosis. At low doses, increases liver weight is not associated with any histopathological alterations and is considered to be an adaptive change to treatment[1].
References	[1]. Tesh SA, et al. Innovative selection approach for a new antifungal agent mefentrifluconazole (Revysol®) and the impact upon its toxicity profile. Regul Toxicol Pharmacol. 2019 Aug;106:152-168.

Molecular Formula	C₁₈H₁₅ClF₃N₃O₂
Molecular Weight	397.77900
Exact Mass	397.08000
PSA	60.17000
LogP	4.65030

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