MAO-B-IN-2 is a selective and competitive inhibitor of MAO-B and BChE with IC50s of 0.51 and 7.00 μM, respectively.

Physicochemical Properties

Molecular Formula	C18H11CLO3
Molecular Weight	310.73
Exact Mass	310.039
CAS #	1253978-24-3
PubChem CID	8828981
Appearance	White to yellow solid powder
LogP	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	22
Complexity	509
Defined Atom Stereocenter Count	0
SMILES	C1(=O)OC2=CC=CC=C2C=C1C(=O)/C=C/C1=CC=CC=C1Cl
InChi Key	TVTIXYCYMBPAFW-MDZDMXLPSA-N
InChi Code	InChI=1S/C18H11ClO3/c19-15-7-3-1-5-12(15)9-10-16(20)14-11-13-6-2-4-8-17(13)22-18(14)21/h1-11H/b10-9+
Chemical Name	3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]chromen-2-one
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]. Halogenated Coumarin-Chalcones as Multifunctional Monoamine Oxidase-B and Butyrylcholinesterase Inhibitors. ACS Omega. 2021 Oct 12;6(42):28182-28193.

Solubility Data

Solubility (In Vitro)

DMSO: 10 mg/mL (32.18 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 0.5 mg/mL (1.61 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 5.0 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: ≥ 0.5 mg/mL (1.61 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 5.0 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	3.2182 mL	16.0911 mL	32.1823 mL
	5 mM	0.6436 mL	3.2182 mL	6.4365 mL
	10 mM	0.3218 mL	1.6091 mL	3.2182 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.