CAS 56518-41-3|Brodimoprim

Introduction：Basic information about CAS 56518-41-3|Brodimoprim, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Brodimoprim BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Brodimoprim
CAS Number	56518-41-3	Molecular Weight	339.19
Density	1.5±0.1 g/cm3	Boiling Point	563.8±60.0 °C at 760 mmHg
Molecular Formula	C₁₃H₁₅BrN₄O₂	Melting Point	225-228°
MSDS	/	Flash Point	294.7±32.9 °C

Names

Name	Brodimoprim
Synonym	More Synonyms

Brodimoprim BiologicalActivity

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].
Related Catalog	Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial
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.

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].

Related Catalog

Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial

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.

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	563.8±60.0 °C at 760 mmHg
Melting Point	225-228°
Molecular Formula	C₁₃H₁₅BrN₄O₂
Molecular Weight	339.19
Flash Point	294.7±32.9 °C
Exact Mass	338.037842
PSA	96.28000
LogP	1.43
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.646
InChIKey	BFCRRLMMHNLSCP-UHFFFAOYSA-N
SMILES	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UV8139340

CHEMICAL NAME :: 2,4-Pyrimidinediamine, 5-((4-bromo-3,5-dimethoxyphenyl)methyl)-

CAS REGISTRY NUMBER :: 56518-41-3

BEILSTEIN REFERENCE NO. :: 0760113

LAST UPDATED :: 199612

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C13-H15-Br-N4-O2

MOLECULAR WEIGHT :: 339.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2514 mg/kg

TOXIC EFFECTS :: Behavioral - excitement Lungs, Thorax, or Respiration - other changes

REFERENCE :: JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R. Giuliani, 419, 50141 Florence, Italy) V.1- 1989- Volume(issue)/page/year: 5,400,1993

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3724 mg/kg

TOXIC EFFECTS :: Behavioral - excitement Lungs, Thorax, or Respiration - other changes

REFERENCE :: JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R. Giuliani, 419, 50141 Florence, Italy) V.1- 1989- Volume(issue)/page/year: 5,400,1993

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 147 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R. Giuliani, 419, 50141 Florence, Italy) V.1- 1989- Volume(issue)/page/year: 5,400,1993

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1054 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R. Giuliani, 419, 50141 Florence, Italy) V.1- 1989- Volume(issue)/page/year: 5,400,1993

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >8 gm/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R. Giuliani, 419, 50141 Florence, Italy) V.1- 1989- Volume(issue)/page/year: 5,400,1993

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 104 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R. Giuliani, 419, 50141 Florence, Italy) V.1- 1989- Volume(issue)/page/year: 5,400,1993 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 13650 mg/kg/13W-C

TOXIC EFFECTS :: Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R. Giuliani, 419, 50141 Florence, Italy) V.1- 1989- Volume(issue)/page/year: 5,400,1993

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 1040 mg/kg/13W-C

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: JCHEEU Journal of Chemotherapy. (Edizioni Riviste Scientifiche, via R. Giuliani, 419, 50141 Florence, Italy) V.1- 1989- Volume(issue)/page/year: 5,400,1993

Safety Information

Hazard Codes	Xn
HS Code	2933599090

Customs

HS Code	2933599090
Summary	2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine-2,4-diamine

2,4-Pyrimidinediamine, 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]-

Brodimoprim

5-(4-Bromo-3,5-dimethoxybenzyl)-2,4-pyrimidinediamine

5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine

5-[(4-Bromo-3,5-dimethoxyphenyl)methyl]-2,4-pyrimidinediamine

Ro-10-5970

EINECS 260-238-8

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