D75-4590 is an inhibitor (blocker/antagonist) of pyridine benzimidazole analogues and β-1,6-glucan synthesis with antifungal activity.

Physicochemical Properties

Molecular Formula	C21H27N5
Molecular Weight	349.47
Exact Mass	349.226
CAS #	384376-42-5
PubChem CID	948175
Appearance	Light yellow to yellow solid powder
Density	1.1±0.1 g/cm3
Index of Refraction	1.607
LogP	4.26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	26
Complexity	496
Defined Atom Stereocenter Count	0
SMILES	CCC1=C(NCCN(CC)CC)N2C3=C(C=CC=C3)N=C2C(=C1C)C#N
InChi Key	DMKNXKIUSPUYQP-UHFFFAOYSA-N
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
Chemical Name	1-[2-(diethylamino)ethylamino]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
HS Tariff Code	2934.99.9001
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)

Biological Activity

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].
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.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (143.07 mM)

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.