AA38-3 is a serine hydrolase (SH) inhibitor. AA38-3 can inhibit three SHs: ABHD6, ABHD11 and FAAH.

Physicochemical Properties

Molecular Formula	C12H14N2O4
Molecular Weight	250.25
Exact Mass	250.095
CAS #	65815-76-1
PubChem CID	726751
Appearance	White to light yellow solid powder
Density	1.3±0.1 g/cm3
Boiling Point	397.5±34.0 °C at 760 mmHg
Flash Point	194.2±25.7 °C
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.579
LogP	3.21
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	18
Complexity	302
Defined Atom Stereocenter Count	0
InChi Key	DHSYPQIMNAYLCG-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H14N2O4/c15-12(13-8-2-1-3-9-13)18-11-6-4-10(5-7-11)14(16)17/h4-7H,1-3,8-9H2
Chemical Name	(4-nitrophenyl) piperidine-1-carboxylate
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: This product requires protection from light (avoid light exposure) during transportation and storage.
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]. Click-generated triazole ureas as ultrapotent in vivo-active serine hydrolase inhibitors. Nat Chem Biol. 2011 May 15;7(7):469-78.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (199.80 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.99 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 (9.99 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 (9.99 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	3.9960 mL	19.9800 mL	39.9600 mL
	5 mM	0.7992 mL	3.9960 mL	7.9920 mL
	10 mM	0.3996 mL	1.9980 mL	3.9960 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.