Brodimoprim (Ro-105970) is an analogue of trimethoprim and is an orally bioactive and long-acting DHFR/dihydrofolate reductase inhibitor with activity against a broad spectrum of gram-negative and gram-positive bacteria.

Physicochemical Properties

Molecular Formula	C13H15N4O2BR
Molecular Weight	339.1878
Exact Mass	338.037
Elemental Analysis	C, 46.03; H, 4.46; Br, 23.56; N, 16.52; O, 9.43
CAS #	56518-41-3
PubChem CID	68760
Appearance	Solid powder
Density	1.5±0.1 g/cm3
Boiling Point	563.8±60.0 °C at 760 mmHg
Melting Point	225-228°
Flash Point	294.7±32.9 °C
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.646
LogP	1.43
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	20
Complexity	296
Defined Atom Stereocenter Count	0
SMILES	COC1=C(C(=CC(=C1)CC2=CNC(=N)NC2=N)OC)Br
InChi Key	BFCRRLMMHNLSCP-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)
Chemical Name	2,4-Diamino-5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine
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].Weidekamm E. Pharmacokinetics of brodimoprim. J Chemother. 1993;5(6):475-479. [2].Marchese A, et al. Brodimoprim: effects of subminimal inhibitory concentrations on virulence traits of respiratory and urinary tract pathogens, and on plasmid transfer and stability. J Chemother. 1996;8(3):171-177.
Additional Infomation	Brodimoprim is an aminopyrimidine that is 2,4-diaminopyrimidine in which the hydrogen at position 5 has been replaced by a 4-bromo-3,5-dimethoxybenzyl group. It has a role as an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, an antiinfective agent and an antibacterial drug. It is an aminopyrimidine, a member of bromobenzenes and a member of methoxybenzenes.

Solubility Data

Solubility (In Vitro)

DMSO : ~33.33 mg/mL (~98.26 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.37 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 (7.37 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. Solubility in Formulation 3: 10% DMSO+40% PEG300+5% Tween-80+45% Saline: ≥ 2.5 mg/mL (7.37 mM)  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.9482 mL	14.7410 mL	29.4820 mL
	5 mM	0.5896 mL	2.9482 mL	5.8964 mL
	10 mM	0.2948 mL	1.4741 mL	2.9482 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.