PAR-2-IN-1 is a protease-activated receptor 2 (PAR2) signaling pathway inhibitor (antagonist) with anti~inflammatory and anti-cancer effects.

Physicochemical Properties

Molecular Formula	C12H14CLN3O2
Molecular Weight	267.713
Exact Mass	267.077
Elemental Analysis	C, 53.84; H, 5.27; Cl, 13.24; N, 15.70; O, 11.95
CAS #	1690176-75-0
PubChem CID	117978438
Appearance	White to light yellow solid powder
Density	1.3±0.1 g/cm3
Index of Refraction	1.596
LogP	3.04
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	18
Complexity	332
Defined Atom Stereocenter Count	0
SMILES	ClC1C([H])=C(C2=NC(C(=O)OC([H])([H])[H])=C([H])N2N=1)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
InChi Key	IUYKWCFRPDFUQU-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H14ClN3O2/c1-12(2,3)7-5-9(13)15-16-6-8(11(17)18-4)14-10(7)16/h5-6H,1-4H3
Chemical Name	Methyl 8-(tert-butyl)-6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
Synonyms	IUN 76750; IUN-76750; IUN76750
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

Targets	PAR2
References	[1]. Imidazopyridazines useful as inhibitors of the par-2 signaling pathway. WO2015048245A1.

Solubility Data

Solubility (In Vitro)

DMSO: 54~83.3 mg/mL (201.7~311.3 mM) Ethanol: ~13 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (7.77 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	3.7354 mL	18.6769 mL	37.3539 mL
	5 mM	0.7471 mL	3.7354 mL	7.4708 mL
	10 mM	0.3735 mL	1.8677 mL	3.7354 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.