Neutrophil elastase inhibitor 3 (compound 13), a benzoxazolone analogue, has an effect on superoxide anion generation and exhibits an inhibitory effect on neutrophil elastase (NE), which inhibits NE release. The IC50 value is 80.8 nM.

Physicochemical Properties

Molecular Formula	C14H7BRCLNO2
Molecular Weight	336.57
Exact Mass	334.934
CAS #	1234707-32-4
PubChem CID	46838144
Appearance	Typically exists as solid at room temperature
Density	1.7±0.1 g/cm3
Boiling Point	436.9±38.0 °C at 760 mmHg
Flash Point	218.0±26.8 °C
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.682
LogP	4.16
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	19
Complexity	401
Defined Atom Stereocenter Count	0
InChi Key	WXWVDINGZQKMMS-UHFFFAOYSA-N
InChi Code	InChI=1S/C14H7BrClNO2/c15-9-5-2-1-4-8(9)13-17-11-7-3-6-10(16)12(11)14(18)19-13/h1-7H
Chemical Name	2-(2-bromophenyl)-5-chloro-3,1-benzoxazin-4-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
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 Vivo	Neutrophil elastase inhibitor 3 (compound 13, 1 mg/kg of body weight, intravenous administration) significantly reduced the increase in pulmonary myeloperoxidase (MPO) activity and edema after traumatic hemorrhagic shock in rats.
References	[1]. Synthesis and evaluation of benzoxazinone derivatives on activity of human neutrophil elastase and on hemorrhagic shock-induced lung injury in rats. Eur J Med Chem. 2010 Jul;45(7):3111-5.

Solubility Data

Solubility (In Vitro)	May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)	Solubility in formula 1: (Saturation unknown) in Neutrophil elastase inhibitor 3 (compound 13) is dissolved in 10% DMSO[1]. (These co-solvents are added one by one from left to right). (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.9712 mL	14.8558 mL	29.7115 mL
	5 mM	0.5942 mL	2.9712 mL	5.9423 mL
	10 mM	0.2971 mL	1.4856 mL	2.9712 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.