Mefentrifluconazole - ≥99% , CAS No.1417782-03-6

CAS: 1417782-03-6 Cat. No.: M651053 Molecular Weight: 397.78 EC Number: 822-682-6 PubChem CID: 71230671

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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 ( K d = 0.5 nM) inhibitor, but shows less inhibitory activity on human aromatase ( IC 50 =0.92 μM)

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 . 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 . 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) . 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 . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:CYP51A 0.5 nM (Kd)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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 ( K d = 0.5 nM) inhibitor, but shows less inhibitory activity on human

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Isomeric SMILES: CC(CN1C=NC=N1)(C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F)O
• PubChem CID: 71230671
• Molecular Weight: 397.78

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (251.40 mM; Need ultrasonic)
• Molecular Weight: 397.800 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 397.08 Da
• Monoisotopic Mass: 397.08 Da
• Topological Polar Surface Area: 60.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1