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Brodimoprim

CAT: 0804-HY-121341-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-121341-01Size:5 mg
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Description
Brodimoprim (Ro 10-5970), a trimethoprim analogue, is an orally active dihydrofolate reductase inhibitor. Brodimoprim is highly active against a broad spectrum of gram-negative and gram-positive bacteria[1].
CAS Number
56518-41-3
Product Name Alternative
Ro 10-5970
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/brodimoprim.html
Purity
99.36
Solubility
DMSO : 33.33 mg/mL (ultrasonic)
Smiles
COC1=C(C(OC)=CC(CC2=CN=C(N=C2N)N)=C1)Br
Molecular Formula
C13H15BrN4O2
Molecular Weight
339.19
References & Citations
[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.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light, stored under argon)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Brodimoprim

Brodimoprim is an aminopyrimidine that is 2,4-diaminopyrimidine in which the hydrogen at position 5 has been replaced by a 4-bromo-3,5-dimethoxybenzyl group.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 antiinfective agent, an antibacterial drug and an EC 1.5.1.3 (dihydrofolate reductase) inhibitor. It is a member of bromobenzenes, an aminopyrimidine and a member of methoxybenzenes.

CAS Number56518-41-3
PubChem CID68760
IUPAC Name5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Molecular FormulaC13H15BrN4O2
Molecular Weight339.19
XLogP2
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity296
SMILES
COC1=CC(=CC(=C1Br)OC)CC2=CN=C(N=C2N)N
InChI
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)
InChIKey
BFCRRLMMHNLSCP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brodimoprim
CAS: 56518-41-3
CID: 68760
Formula: C13H15BrN4O2
MW: 339.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.19
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass338.03784
Monoisotopic Mass338.03784
Topological Polar Surface Area96.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity296
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1412-10Brodimoprim
sc-503947Brodimoprim-d6

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