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Sertaconazole [99592-32-2]

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Referencia NB-64-29344-1mL

embalaje : 1mLx10mM(inDMSO)

Contact local distributor :

Teléfono : +1 850 650 7790

Marca : Neo Biotech

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Contact local distributor :

Teléfono : +1 850 650 7790

Sertaconazole

Catalog No. T50005 Copy Product Info

Purity: 99.48%

Sertaconazole is a broad-spectrum antifungal.

Sertaconazole

Copy Product Info

Sertaconazole is a broad-spectrum antifungal.

Cas No. 99592-32-2

Batch Information

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Purity:99.48%

Appearance:Solid

Color:White

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COA HNMR LCMS

Product Introduction

Sertaconazole AI Summary

Sertaconazole exhibits a diverse array of bioactivities. It has no significant hepatic side effects according to the DILIps training set, with multiple hepatic parameters scoring 0.0, indicating no bioactivity related to liver injury or dysfunction. It acts as an inhibitor of mouse Ido2 in HEK293T cells, using L-tryptophan as a substrate and achieving an inhibition of ≥ 55.0% at 20 µM. The compound also inhibits IDO1, with an IC50 value of 8400.0 nM, and exhibits cytotoxicity against mouse P815B cells with an LD50 of 10.0 µM. Additionally, it is soluble up to 10000.0 nM in pH 6.5 phosphate buffer with 5% DMSO. For antiviral activity, Sertaconazole has limited effectiveness against SARS-CoV-2, with a low hit score of 0.03803, 2.98% inhibition of 3CL-Pro protease at 20 µM, and inhibition of virus-induced cytotoxicity in VERO-6 cells showing an IC50 greater than 20000.0 nM. Furthermore, Sertaconazole inhibits equine serum butyrylcholinesterase and human IDO1 with IC50 values of 7400.0 nM and 3800.0 nM, respectively. It also shows inhibitory activity against human HDAC6 enzyme with inhibition values of -25.26% on a commercial peptide substrate and -3.77% on a custom peptide substrate. The compound has binding affinities towards multiple receptors, including human DRD1, KCNH2, SLC6A3, SLC6A2, SLC6A4, ADRA2A, OPRM1, DRD3, CHRM2, ADORA3, HRH3, AR, PGR, and GABRA1, and demonstrates antagonist activity at human TBXA2R and CHRM1, as well as agonist activity at human ADRA1A and TBXA2R. It also inhibits human PTGS1 and PDE4A..

Note: Summary generated by AI. Data source: ChEMBL

Bioactivity

Description

Sertaconazole is a broad-spectrum antifungal.

Chemical Properties

Molecular Weight	437.77
Formula	C₂₀H₁₅Cl₃N₂OS
Cas No.	99592-32-2
Smiles	C(OC(CN1C=CN=C1)C2=C(Cl)C=C(Cl)C=C2)C=3C=4C(SC3)=C(Cl)C=CC4
Relative Density.	1.43g/cm3

Storage & Solubility Information

Storage

Powder: -20°C for 3 years | In solvent: -80°C for 1 year Shipping with blue ice/Shipping at ambient temperature.

Solubility Information

DMSO: 55 mg/mL (125.64 mM), Sonication is recommended.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	2.2843 mL	11.4215 mL	22.8430 mL	114.2152 mL
5 mM	0.4569 mL	2.2843 mL	4.5686 mL	22.8430 mL
10 mM	0.2284 mL	1.1422 mL	2.2843 mL	11.4215 mL
20 mM	0.1142 mL	0.5711 mL	1.1422 mL	5.7108 mL
50 mM	0.0457 mL	0.2284 mL	0.4569 mL	2.2843 mL
100 mM	0.0228 mL	0.1142 mL	0.2284 mL	1.1422 mL

Note : The dilution table applies only to solid products. For liquid products, please calculate the stock solution based on the stated concentration and/or density.