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SAPERCONAZOLE

SAPERCONAZOLE structure

CAS No:
110588-57-3
Formula:
C35H38F2N8O4
Chemical Name:
SAPERCONAZOLE
Synonyms:
SAPERCONAZOLE;(+-)-1-sec-Butyl-4-(p-(4-(p-(((2R*,4S*)-2-(2,4-difluorophenyl)-2-(1H-1 ,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazin yl)phenyl)-delta(sup 2)-1,2,4-triazolin-5-one;4-[4-[4-[4-[[2-(2，4-Difluorophenyl)-2-(1H-1，2，4-triazol-1-yl-methyl)-1，3-dioxolan-4-y1]methoxyl]phenyl]-1-piperazinyl]phenyl]-2，4-dihydrcr2-(1-methylpropyl)-3H-1，2，4-triazol-3-one;R-66905;2-(1H-1,2,4-Triazol-1-ylmethyl)-2-(2,4-difluorophenyl)-4-[[4-[4-[4-[[2-(1-methylpropyl)-2,3-dihydro-3-oxo-4H-1,2,4-triazol]-4-yl]phenyl]piperazin-1-yl]phenoxy]methyl]-1,3-dioxolane;2-sec-Butyl-4-[4-[4-[4-[[2-(1H-1,2,4-triazole-1-ylmethyl)-2-(2,4-difluorophenyl)-1,3-dioxolane-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-one
Categories:
Active Pharmaceutical Ingredients > Synthetic Anti-infective Drugs

Description

R66905 is a broad-spectrum antifungal triazole and has potent activity against Aspergillus with an MIC90 of 0.19 mg/L.

Saperconazole is a synthetic broad-spectrum fluorinated triazole with potential antifungal activity. Saperconazole preferentially inhibits fungal cytochrome P450 sterol 14 alpha-demethylase (CYP51), an enzyme responsible for the conversion of lanosterol to ergosterol, an important component of the fungal cell membrane. Enzyme inhibition by this agent leads to a decrease in ergosterol pool that distresses synthesis of fungal cell membrane, thereby increases cell membrane permeability, and promotes loss of essential intracellular elements. This ultimately causes fungal cell lysis and death.

SAPERCONAZOLE Basic Attributes

Molecular Weight：

672.72

Exact Mass：

672.29800

UNII：

R2I5PI29CA

NCI Thesaurus Code：

C1221

Characteristics

PSA：

104.70000

XLogP3：

4.67870

Density：

1.37±0.1 g/cm3(Predicted)

Melting Point：

189.5°

Boiling Point：

812.5±75.0 °C(Predicted)

Flash Point：

445.2ºC

Refractive Index：

1.656

Vapor Pressure：

1.81E-26mmHg at 25°C

Drug Information

MeSH：

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)

MeSH Entry Terms：

saperconazole

SAPERCONAZOLE Use and Manufacturing

Antifungal.

Computed Properties

Molecular Weight:672.7
XLogP3:4.6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:672.29840805
Monoisotopic Mass:672.29840805
Topological Polar Surface Area:101
Heavy Atom Count:49
Complexity:1120
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes