ISPA-28 is a specific Plasmodium surface anion channel (PSAC) antagonist. ISPA-28 binds directly and reversibly to CLAG3.

Physicochemical Properties

Molecular Formula	C21H24N6O3
Molecular Weight	408.45
Exact Mass	408.19
CAS #	1006335-39-2
PubChem CID	17095977
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Index of Refraction	1.672
LogP	0.18
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	30
Complexity	760
Defined Atom Stereocenter Count	0
SMILES	CCN1N=C(C)C(C2=NOC(C(NC3=C(C)N(C)N(C4=CC=CC=C4)C3=O)=O)C2)=C1
InChi Key	YMLINDVVJXDIRW-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H24N6O3/c1-5-26-12-16(13(2)23-26)17-11-18(30-24-17)20(28)22-19-14(3)25(4)27(21(19)29)15-9-7-6-8-10-15/h6-10,12,18H,5,11H2,1-4H3,(H,22,28)
Chemical Name	N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
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	Only Dd2 channels (K0.5 values of 56 nM and 43 μM for Dd2 and HB3 channels, respectively) are effectively inhibited by ISPA-28[2].
References	[1]. Sanjay A Desai, et al. Ion and Nutrient Uptake by Malaria Parasite-Infected Erythrocytes. [2]. Wang Nguitragool, et al. Proteolysis at a Specific Extracellular Residue Implicates Integral Membrane CLAG3 in Malaria Parasite Nutrient Channels.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (244.83 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.12 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.12 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.12 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.4483 mL	12.2414 mL	24.4828 mL
	5 mM	0.4897 mL	2.4483 mL	4.8966 mL
	10 mM	0.2448 mL	1.2241 mL	2.4483 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.