| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
Bromacil is a novel and potent herbicide agent
| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
Bromacil is absorbed via the gastrointestinal tract and primarily excreted in the urine. Bromacil is readily absorbed from the gastrointestinal tract… Radiolabeling was detected in all tissues examined, but there was no indication of accumulation. Except for the multiple low-dose administration regimen in male animals, the primary route of excretion was urine; in the multiple low-dose administration regimen in male animals, the excretion in urine and feces was approximately equal. When the herbicide concentration in dairy cow feed was 5 ppm and 30 ppm, the secreted concentrations of intact compounds in milk reached 0.019 ppm and 0.13 ppm, respectively. Bromacilil was not detected in either urine or fecal samples. For more complete data on the absorption, distribution, and excretion of Bromacilil (6 compounds in total), please visit the HSDB record page. Metabolism/Metabolites Metabolic studies were conducted in rats, with single (low and high doses) and multiple (low dose) administrations of radiolabeled Bromacilil. ...Brompyrimidine is readily absorbed from the gastrointestinal tract, extensively metabolized (primarily via hydroxylation of the 6-methyl and sec-butyl moieties), and rapidly excreted. Hydroxylated metabolites are excreted as glucuronide conjugates. ...The major metabolite of bromopyrimidine in rat urine is 5-bromo-6-hydroxymethyl-3-sec-butyluracil. Trace amounts of the parent compound and two other (unidentified) metabolites are excreted in the urine. Male rats...were fed a diet containing 1250 ppm bromopyrimidine for one month. Urine was collected and analyzed. ...The isolated metabolites include: 5-bromo-3-sec-butyl-6-hydroxymethyluracil; 5-bromo-3-(2-hydroxy-1-methylpropyl)-6-methyluracil; 5-bromo-3-(2-hydroxy-1-methylpropyl)-6-hydroxymethyluracil; 3-sec-butyl-6-hydroxymethyluracil; 5-bromo-3-(3-hydroxy-1-methylpropyl)-6-methyluracil; 3-sec-butyl-6-methyluracil; and an unidentified bromine-containing compound with a molecular weight of 339. Bromopyrimidines are metabolized in rodents via side-chain oxidation. |
|---|---|
| Toxicity/Toxicokinetics |
Non-Human Toxicity Values
Male rat oral LD50: 5200 mg/kg Female rat oral LD50: 3.998 g/kg Rat inhalation LC50: >4.8 mg/L air/4 hours Rabbit dermal LD50: >5000 mg/kg For more complete non-human toxicity data on BROMACILs (6 types), please visit the HSDB record page. |
| Additional Infomation |
Bromacil is a colorless to white, odorless crystalline solid used as a herbicide. Commercially available formulations include wettable powders and liquid preparations. (NIOSH, 2024)
5-Bromo-3-(But-2-yl)-6-methylpyrimidin-2,4(1H,3H)-dione is a pyrimidinone with the structure pyrimidin-2,4(1H,3H)-dione where a bromine atom is substituted at position 5, a butyl-2-yl atom at position 3, and a methyl atom at position 6. It is a pyrimidinone compound and also an organobromine compound. Bromacil is an organic compound with the chemical formula C9H13BrN2O2, commercially available as a herbicide. Bromacil was first registered as an insecticide in the United States in 1961. It is used for shrub control and in non-cultivated areas. Bromacil enters the plant through the root system and moves within the plant, thus interfering with photosynthesis. Bromacil belongs to the substituted uracil class of compounds. These compounds are broad-spectrum herbicides used for non-selective weed and shrub control on non-cultivated land, and selective weed control on a few crops such as citrus and pineapple. Bromhizomet has also been found to have excellent control effects on perennial grass weeds. Mechanism of Action Bromhizomet has been shown to be a potent and specific photosynthesis inhibitor. |
| Molecular Formula |
C9H13BRN2O2
|
|---|---|
| Molecular Weight |
261.11
|
| Exact Mass |
260.016
|
| CAS # |
314-40-9
|
| Related CAS # |
69484-12-4 (hydrochloride salt)
|
| PubChem CID |
9411
|
| Appearance |
White crystalline solid
White to light-tan crystalline solid Colorless to white, crystalline solid [Note: Commercially available as a wettable powder or in liquid formulations] |
| Density |
1.5±0.1 g/cm3
|
| Boiling Point |
411ºC
|
| Melting Point |
157-160°C
|
| Index of Refraction |
1.541
|
| LogP |
2.1
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
14
|
| Complexity |
312
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCC(N1C(C(Br)=C(NC1=O)C)=O)C
|
| InChi Key |
CTSLUCNDVMMDHG-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
|
| Chemical Name |
5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
|
| Synonyms |
Bromacil Cynogan Bromax
|
| 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)
|
| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.8298 mL | 19.1490 mL | 38.2980 mL | |
| 5 mM | 0.7660 mL | 3.8298 mL | 7.6596 mL | |
| 10 mM | 0.3830 mL | 1.9149 mL | 3.8298 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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