Ilaprazole (IY-81149) sodium, an orally bioactive proton pump inhibitor, irreversibly inhibits H+/K+-ATPase in a dose-dependent manner with IC50 of 6 μM in rabbit parietal cell preparations. Ilaprazole sodium may be used in research on gastric ulcers. Ilaprazole sodium is also a potent inhibitor of T cell origin protein kinase (TOPK).

Physicochemical Properties

Molecular Formula	C19H17N4NAO2S
Molecular Weight	388.42
Exact Mass	388.096
CAS #	172152-50-0
Related CAS #	Ilaprazole;172152-36-2;Ilaprazole sodium hydrate;2322264-11-7
PubChem CID	121595900
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	27
Complexity	508
Defined Atom Stereocenter Count	0
InChi Key	ZQGDDMFDBZPGCD-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H17N4O2S.Na/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23;/h3-11H,12H2,1-2H3;/q-1;+1
Chemical Name	sodium;2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-5-pyrrol-1-ylbenzimidazol-3-ide
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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	In histamine-stimulated parietal cells, ilaprazole (IY-81149) sodium has an IC50 of 9 nM for 14C-aminopyrine accumulation [1].
ln Vivo	Gastric acid secretion is dose-dependently inhibited by linaprozole sodium (3–30 mg/kg; id) [1]. Histamine infusion lowered stomach pH in sedated rats, but ilaprazole sodium dose-dependently raised it in intravenous injection cases. The injected doses of omeprazole (1.4 mg/kg) and sodium omeprazole (1.2 mg/kg) are the corresponding ED50s. The ED50s of omeprazole (4.1 mg/kg) and linaprazole sodium (3.9 mg/kg) when given, respectively. Significant inhibition of pentagastrin-stimulated gastric secretion is also observed with ilaprazole sodium. Omeprazole's ED50 is 3.5 mg/kg, whereas its is 2.1 mg/kg. when administering an intravenous injection. In fistula rats, ilaprazole sodium also significantly reduces the release of stomach acid. The ED50 for omeprazole is 0.68 mg/kg and for linaprazole sodium is 0.43 mg/kg when administered intraduodenally[1].
Animal Protocol	Animal/Disease Models: Male SD rat (after pylorus ligation)[1] Doses: 3, 10, 30 mg/kg Route of Administration: Intraduodenally Experimental Results: The acid output and volume Dramatically inhibited by about 60 % and 46 % at 3 mg/kg were s, respectively. At 30 mg/kg, it demonstrated 93 % and 73 % inhibition on acid output and volume, respectively.
References	[1]. Effects of IY-81149, a newly developed proton pump inhibitor, on gastric acid secretion in vitro and in vivo. Arzneimittelforschung. 2001;51(3):204-213. [2]. Proton pump inhibitor ilaprazole suppresses cancer growth by targeting T-cell-originated protein kinase. Oncotarget. 2017;8(24):39143-39153.

Solubility Data

Solubility (In Vitro)

DMSO : 41.67 mg/mL (107.28 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.36 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 20.8 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: ≥ 2.08 mg/mL (5.36 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 20.8 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: ≥ 2.08 mg/mL (5.36 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 20.8 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	2.5745 mL	12.8727 mL	25.7453 mL
	5 mM	0.5149 mL	2.5745 mL	5.1491 mL
	10 mM	0.2575 mL	1.2873 mL	2.5745 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.