BI-0115 is a selective small molecule inhibitor of LOX-1 that blocks cellular uptake of oxLDL. BI-0115 binding triggers receptor inhibition by formation of dimers of the homodimeric ligand binding domain. The structure of LOX-1 bound to BI-0115 shows that inter-ligand interactions at the receptor interfaces are key to the formation of the receptor tetramer thereby blocking oxLDL binding.

Physicochemical Properties

Molecular Formula	C15H14CLN3O
Molecular Weight	287.747
Exact Mass	287.082
CAS #	4929-23-1
Related CAS #	4929-23-1;
PubChem CID	146676953
Appearance	Light yellow to yellow solid powder
Density	1.3±0.1 g/cm3
Boiling Point	489.2±45.0 °C at 760 mmHg
Flash Point	249.7±28.7 °C
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.602
LogP	3.08
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	20
Complexity	365
Defined Atom Stereocenter Count	0
InChi Key	QTCZUCSALXBZQR-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H14ClN3O/c1-2-8-19-13-4-3-7-17-14(13)18-12-9-10(16)5-6-11(12)15(19)20/h3-7,9H,2,8H2,1H3,(H,17,18)
Chemical Name	9-chloro-5-propyl-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Synonyms	BI-0115BI 0115BI0115
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	BI-0115 effectively decreases the uptake of oxLDL inside the cellular environment. The obtained Kd values in SPR (4.3 µM) and ITC (6.99 µM) are in good agreement with the cellular assay's IC50 values (5.4 µM)[1].
References	[1]. A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state. Commun Chem 3, 75 (2020).

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~347.54 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.69 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	3.4752 mL	17.3762 mL	34.7524 mL
	5 mM	0.6950 mL	3.4752 mL	6.9505 mL
	10 mM	0.3475 mL	1.7376 mL	3.4752 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.