| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
D75-4590 targets β-1,6-glucan synthesis in fungi by selectively inhibiting Kre6p, a β-1,6-glucan synthase. β-1,6-Glucan is a major component of the fungal cell wall and is essential for cell wall integrity and fungal viability. Because Kre6p is conserved across pathogenic fungi but lacks a mammalian homolog, D75-4590 has the potential for selective antifungal activity with minimal off-target effects on mammalian cells. The compound exhibits anti-Candida properties against a range of species, including those resistant to fluconazole.
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| ln Vitro |
D75-4590 exhibits anti-Candida properties against a range of species, including those resistant to fluconazole. Similar to what was shown when azoles were present, the majority of C. albicans, C. tropicalis, and C. parapsilosis strains showed trailing growth phenomena[1].
In vitro studies demonstrate that D75-4590 is a β-1,6-glucan synthesis inhibitor with antifungal activity. The compound exhibits anti-Candida properties against a range of species, including those resistant to fluconazole. D75-4590 selectively targets Kre6p, a β-1,6-glucan synthase conserved across pathogenic fungi. The compound's mechanism of action involves inhibiting β-1,6-glucan synthesis, leading to disruption of fungal cell wall integrity. |
| ln Vivo |
No detailed in vivo activity data has been published for D75-4590. The compound has been primarily characterized in vitro as an antifungal agent. Its ability to inhibit β-1,6-glucan synthesis and its activity against fluconazole-resistant Candida species suggest that it could have potential for in vivo applications in treating fungal infections. Further studies would be needed to evaluate its efficacy in animal models of fungal infection.
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| Enzyme Assay |
The β-1,6-glucan synthesis inhibitory activity of D75-4590 can be assessed using in vitro enzyme assays. In a typical assay, fungal membrane preparations containing β-1,6-glucan synthase are incubated with UDP-glucose (the substrate) and varying concentrations of D75-4590. The incorporation of glucose into β-1,6-glucan polymers is measured using radiolabeled UDP-glucose or by detecting the product using a colorimetric assay. The IC50 for inhibition of glucan synthase activity is calculated from dose-response curves.
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| Cell Assay |
The antifungal activity of D75-4590 is assessed using standard susceptibility testing methods against Candida species, including fluconazole-resistant strains. In a typical assay, fungal cultures are grown in appropriate media and treated with varying concentrations of D75-4590. The minimum inhibitory concentration (MIC) is determined using the broth microdilution method as recommended by the Clinical and Laboratory Standards Institute (CLSI). The compound's selectivity for fungi over mammalian cells can be assessed using cytotoxicity assays.
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| Animal Protocol |
No detailed in vivo animal model data has been published for D75-4590. The compound has been primarily characterized in vitro as an antifungal agent. Future studies may involve the use of mouse models of Candida infection to assess the in vivo efficacy of D75-4590. The compound's selectivity for fungal β-1,6-glucan synthase over mammalian cells suggests that it may have a favorable safety profile.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data has been published for D75-4590. The compound has a molecular weight of 349.47 and a molecular formula of C21H27N5. It has a purity of ≥98%. Further studies would be needed to characterize its absorption, distribution, metabolism, and excretion properties, including oral bioavailability, plasma protein binding, clearance, and half-life.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for D75-4590. As a β-1,6-glucan synthesis inhibitor that targets Kre6p, which lacks a mammalian homolog, the compound is expected to have a favorable safety profile with minimal off-target effects on mammalian cells. Comprehensive toxicology studies would be required to evaluate its safety profile for potential therapeutic development. The compound is intended for research use only.
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| References |
[1]. Akihiro Kitamura, et al. Discovery of a small-molecule inhibitor of {beta}-1,6-glucan synthesis. Antimicrob Agents Chemother. 2009 Feb;53(2):670-7.
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| Additional Infomation |
D75-4590 (CAS# 384376-42-5) is a pyridobenzimidazole derivative and the first reported small-molecule inhibitor of fungal β-1,6-glucan synthesis. It selectively targets Kre6p, a β-1,6-glucan synthase conserved across pathogenic fungi but lacking a mammalian homolog. D75-4590 exhibits antifungal activity against Candida species, including fluconazole-resistant strains. The molecular formula is C21H27N5 and molecular weight is 349.47. The compound is a research tool for studying fungal β-1,6-glucan synthesis and developing new antifungal therapies.
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| Molecular Formula |
C21H27N5
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|---|---|
| Molecular Weight |
349.47
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| Exact Mass |
349.226
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| CAS # |
384376-42-5
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| PubChem CID |
948175
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| Appearance |
Light yellow to yellow solid powder
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| Density |
1.1±0.1 g/cm3
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| Index of Refraction |
1.607
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| LogP |
4.26
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
26
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| Complexity |
496
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCC1=C(NCCN(CC)CC)N2C3=C(C=CC=C3)N=C2C(=C1C)C#N
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| InChi Key |
DMKNXKIUSPUYQP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H27N5/c1-5-16-15(4)17(14-22)21-24-18-10-8-9-11-19(18)26(21)20(16)23-12-13-25(6-2)7-3/h8-11,23H,5-7,12-13H2,1-4H3
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| Chemical Name |
1-[2-(diethylamino)ethylamino]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : 50 mg/mL (143.07 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (3.58 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8615 mL | 14.3074 mL | 28.6148 mL | |
| 5 mM | 0.5723 mL | 2.8615 mL | 5.7230 mL | |
| 10 mM | 0.2861 mL | 1.4307 mL | 2.8615 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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