Broxaldine (Brobenzoxaldine) is an antiprotozoal drug. Broxaldine inhibits Clostridium difficile with MIC of 4 µM and has antifungal effects.

Physicochemical Properties

Molecular Formula	C17H11BR2NO2
Molecular Weight	421.08
Exact Mass	418.916
Elemental Analysis	C, 48.49; H, 2.63; Br, 37.95; N, 3.33; O, 7.60
CAS #	3684-46-6
Related CAS #	3684-46-6
PubChem CID	77262
Appearance	White to off-white solid powder
Density	1.692g/cm3
Boiling Point	538.1ºC at 760 mmHg
Flash Point	279.2ºC
Index of Refraction	1.68
LogP	5.287
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	22
Complexity	400
Defined Atom Stereocenter Count	0
SMILES	CC1=NC2=C(OC(C3=CC=CC=C3)=O)C(Br)=CC(Br)=C2C=C1
InChi Key	IJTPLVAAROHGGB-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H11Br2NO2/c1-10-7-8-12-13(18)9-14(19)16(15(12)20-10)22-17(21)11-5-3-2-4-6-11/h2-9H,1H3
Chemical Name	5,7-Dibromo-2-methyl-8-quinolinol benzoate ester
Synonyms	Broxaldine; AL 307; AL-307; AL307
HS Tariff Code	2934.99.03.00
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	In vitro activity: Kinase Assay: Cell Assay:
ln Vivo
Animal Protocol
References	[1]. Therapeutic trial of a combination of broxyquinoline and brobenzoxaldine in the treatment of leprosy. Lepr India. 1979 Oct;51(4):505-10. [2]. Screening for potent and selective anticlostridial leads among FDA-approved drugs. J Antibiot (Tokyo). 2020 Mar 4.

Solubility Data

Solubility (In Vitro)

DMSO : 8.33 ~30 mg/mL ( 19.78 ~71.24 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.83 mg/mL (1.97 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 8.3 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 0.83 mg/mL (1.97 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 8.3 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 3: 10% DMSO+90% Corn Oil: ≥ 0.83 mg/mL (1.97 mM)  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.3748 mL	11.8742 mL	23.7485 mL
	5 mM	0.4750 mL	2.3748 mL	4.7497 mL
	10 mM	0.2375 mL	1.1874 mL	2.3748 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.