Glutaminyl Cyclase Inhibitor 1 is a glutaminyl cyclase inhibitor (antagonist) with IC50 of 0.5 μM.

Physicochemical Properties

Molecular Formula	C21H24FN3O2
Molecular Weight	369.43256855011
Exact Mass	369.185
CAS #	2110449-60-8
PubChem CID	134691747
Appearance	White to yellow solid powder
LogP	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	27
Complexity	442
Defined Atom Stereocenter Count	0
SMILES	FC1C=CC=C(C2C=CC(=C(C=2)OC)OC)C=1NCCCN1C=NC(C)=C1
InChi Key	QBJVKQMFLLMSJR-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H24FN3O2/c1-15-13-25(14-24-15)11-5-10-23-21-17(6-4-7-18(21)22)16-8-9-19(26-2)20(12-16)27-3/h4,6-9,12-14,23H,5,10-11H2,1-3H3
Chemical Name	2-(3,4-dimethoxyphenyl)-6-fluoro-N-[3-(4-methylimidazol-1-yl)propyl]aniline
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	Compound 23 is known as glutamyl cyclase inhibitor 1 [1].
References	[1]. Synthesis and Evaluation of Diphenyl Conjugated Imidazole Derivatives as Potential Glutaminyl Cyclase Inhibitors for Treatment of Alzheimer's Disease. J Med Chem. 2017 Aug 10;60(15):6664-6677.

Solubility Data

Solubility (In Vitro)

Ethanol : ~100 mg/mL (~270.69 mM) DMSO : ~83.33 mg/mL (~225.56 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.63 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 (5.63 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 (5.63 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	2.7069 mL	13.5344 mL	27.0687 mL
	5 mM	0.5414 mL	2.7069 mL	5.4137 mL
	10 mM	0.2707 mL	1.3534 mL	2.7069 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.