Zaloglanstat (ISC-27864) is an inhibitor (blocker/antagonist) of mPGES-1 and may be utilized in research on asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain, and neurodegenerative diseases.

Physicochemical Properties

Molecular Formula	C21H20CLF3N4O2
Molecular Weight	452.8573
Exact Mass	452.122
CAS #	1513852-12-4
PubChem CID	136246033
Appearance	White to off-white solid powder
LogP	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	31
Complexity	714
Defined Atom Stereocenter Count	0
SMILES	ClC1C([H])=C([H])C(=C([H])C=1C1=NN(C(N1[H])=O)C1C([H])=C([H])C(C(F)(F)F)=C([H])C=1[H])C([H])([H])N([H])C(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O
InChi Key	DOVBVLUPCQSAGE-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H20ClF3N4O2/c1-20(2,3)18(30)26-11-12-4-9-16(22)15(10-12)17-27-19(31)29(28-17)14-7-5-13(6-8-14)21(23,24)25/h4-10H,11H2,1-3H3,(H,26,30)(H,27,28,31)
Chemical Name	N-[[4-chloro-3-[5-oxo-1-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]phenyl]methyl]-2,2-dimethylpropanamide
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

References

[1]. Di Micco S, Terracciano S, Ruggiero D, Potenza M, Vaccaro MC, Fischer K, Werz O, Bruno I, Bifulco G. Identification of 2-(thiophen-2-yl)acetic Acid-Based Lead Compound for mPGES-1 Inhibition. Front Chem. 2021 May 7;9:676631.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (552.05 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.59 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	2.2082 mL	11.0409 mL	22.0819 mL
	5 mM	0.4416 mL	2.2082 mL	4.4164 mL
	10 mM	0.2208 mL	1.1041 mL	2.2082 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.