CYP51-IN-35
CYP51-IN-35 is an orally active CYP51 (lanosterol 14α-demethylase) inhibitor. CYP51-IN-35 acts by blocking Ergosterol (HY-N0181) biosynthesis and the accumulation of 14α-methylsterol, shows weak inhibition of human CYP1A2, CYP2C9, CYP2C19, CYP2D6, and CYP3A4, and exhibits human liver microsomal and plasma stability. CYP51-IN-35 dose-dependently inhibits Candida albicans biofilm formation and the yeast-to-hypha transition, demonstrates in vivo antifungal (fungal) efficacy in a mouse infection model, and can be used for research on invasive candidiasis and Candida infections.
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- CAS No.: 3144692-98-5
- 화학식: C29H25F2N5O2
- 분자량:513.54
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보관:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
- Protocol
- 순도&문서
- References
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Help & FAQs
Biological Activity
제품 설명
IC50 & Target
[1]|
CYP51 |
CYP1A2 |
CYP2C9 |
CYP2C19 |
CYP2D6 |
CYP3A4 |
In Vitro
CYP51-IN-35 (0.0625-32 μg/mL; 24 h) retains activity against
Fluconazole (HY-B0101)-resistant C. albicans isolates, with an MIC50 of 0.125 μg/mL against Strain 901 and 0.25-1 μg/mL against the other tested resistant strains[1].
CYP51-IN-35 (0.25-1 μg/mL; 0-24 h) inhibits C. albicans SC5314 and fluconazole-resistant Strain 901 in a concentration- and time-dependent manner[1].
CYP51-IN-35 (0.0625-32 μg/mL; 1.5 h adhesion; 24 h biofilm formation; 3 h XTT) inhibits C. albicans SC5314 biofilm formation, with an inhibition rate of > 70% at 0.0625 μg/mL, and exhibits dose-dependent anti-biofilm activity against Strain 901[1].
CYP51-IN-35 (0.25-4 μg/mL; 4 h) inhibits the yeast-to-hypha transition of C. albicans SC5314, producing inhibition at 0.25 μg/mL and almost completely inhibiting hyphal growth at 4 μg/mL[1].
CYP51-IN-35 (48 h) disrupts the surface morphology and membrane integrity of C. albicans SC5314 cells[1].
CYP51-IN-35 (0.03-0.0625 μg/mL; 18 h) depletes ergosterol and causes accumulation of sterol precursors in C. albicans SC5314 and Strain 901[1].
CYP51-IN-35 (0.03 μg/mL; 24 h) makes Ergosterol undetectable in two of three replicates in C. albicans SC5314 and accumulates Obtusifoliol, Lanosterol (HY-W020033), and Eburicol[1].
CYP51-IN-35 (0.0625 μg/mL; 24 h) reduces Ergosterol to 24.00, 36.40, and 38.22 and increases Eburicol/Lanosterol in FLC-resistant C. albicans strain 901[1].
CYP51-IN-35 (100 μM; 5-60 min) exhibits improved human liver microsomal stability, with a T1/2 of 16.0 min[1].
CYP51-IN-35 (1 μM; 0-4 h) is stable in human plasma with a residual rate of 98.1% and t1/2 > 8 h[1].
CYP51-IN-35 shows binding to the CYP51 active pocket in molecular docking (hydrophobic contacts with Tyr64, Tyr118, and Phe380 + hydrogen bond with Tyr132)[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:OVCAR-3 and BEAS-2B cell lines
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Concentration:40, 8, 1.6, 0.32, 0.064, and 0.0128 μM
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Incubation Time:72 h; 4 h (MTT)
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Result:Cell viability remained above 50% at 40 μM in OVCAR-3 and BEAS-2B cells; no significant cytotoxicity was observed against the tested cell lines.
Parmacokinetics
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:ICR (male, 4-6 weeks old, 18-22 g)[1]
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Dosage:5 mg/kg (p.o.); 10 mg/kg (p.o.); 10 mg/kg (i.p.)
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Administration:p.o. and i.p.; once daily; 5 days
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Result:Kidney fungal burden was 2.10 × 105 cfu (5.1374 log10 cfu/mL) at 5 mg/kg p.o., 1.37 × 105 cfu (4.8500 log10 cfu/mL) at 10 mg/kg p.o., and 7.08 × 104 cfu (4.8376 log10 cfu/mL) at 10 mg/kg i.p.
All three regimens reduced kidney fungal burden.
10 mg/kg i.p. produced the lowest kidney fungal burden.
H&E staining showed a dose-dependent reduction in renal inflammatory lesions with oral administration; the i.p. group showed near-normal renal architecture with no obvious inflammatory response.
PAS staining showed no obvious fungal hyphae or inflammatory cells in the i.p. group, whereas oral groups showed filamentous fungal hyphae colonizing glomeruli with inflammatory infiltration.
Chemical Information
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CAS No. 3144692-98-5
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분자량 513.54
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화학식 C29H25F2N5O2
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SMILES
CC(C1=CC=C(C#CC2=CC3=C(CN(CC(O)(C4=CC=C(F)C=C4F)CN5N=NN=C5)CC3)C=C2)C=C1)=O
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Please store the product under the recommended conditions in the Certificate of Analysis.
순도&문서
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
CYP51-IN-35 Related Classifications
HY-190914 Related Classifications
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