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Saperconazole

CAT: 0013-GTR19203208-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203208-03Size:100 mg
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Description
Saperconazole is a triazole antifungal agent with broad-spectrum activity, exhibiting a low MIC90 of 0.19 mg/L. It is utilized in research for in vitro susceptibility testing and in vivo models to study fungal pathogenesis and therapeutic efficacy.
CAS Number
110588-57-3
Field of Research
Infectious Disease & Virology
Smiles
CCC (C) n1ncn (-c2ccc (cc2) N2CCN (CC2) c2ccc (OCC3COC (Cn4cncn4) (O3) c3ccc (F) cc3F) cc2) c1=O
Molecular Formula
C35H38F2N8O4
Molecular Weight
672.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Saperconazole

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.

CAS Number110588-57-3
PubChem CID457278
IUPAC Name2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Molecular FormulaC35H38F2N8O4
Molecular Weight672.7
XLogP4.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count49
Formal Charge0
Complexity1120
SMILES
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
InChI
InChI=1S/C35H38F2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
InChIKey
HUADITLKOCMHSB-ZPGVKDDISA-N
Chemical Structure
2D Structure
2D structure of Saperconazole
CAS: 110588-57-3
CID: 457278
Formula: C35H38F2N8O4
MW: 672.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight672.7
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass672.29840805
Monoisotopic Mass672.29840805
Topological Polar Surface Area101 Ų
Heavy Atom Count49
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-U00249-01Saperconazole
HY-U00249R-01Saperconazole (Standard)

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