| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
5-Bromonicotinic acid does not have a defined pharmacological target as it is a synthetic intermediate rather than a therapeutic agent. The compound is used as a building block for synthesizing nicotinic acid derivatives and other pyridine-containing pharmaceuticals. Derivatives of nicotinic acid are known to interact with nicotinic acid receptors (GPR109A) involved in lipid metabolism. The bromine substituent allows for further functionalization to generate diverse compound libraries for drug discovery.
|
|---|---|
| ln Vitro |
No direct in vitro pharmacological activity data are available for 5-bromonicotinic acid as it is a synthetic intermediate. The compound is used in medicinal chemistry to synthesize libraries of pyridine-based compounds that are subsequently screened for biological activity against various targets including enzymes, receptors, and ion channels. Its activity is assessed in terms of synthetic utility and reactivity in cross-coupling reactions rather than direct biological activity.
|
| ln Vivo |
No in vivo pharmacological activity data exist for 5-bromonicotinic acid as it is not a therapeutic agent. The compound is used in chemical synthesis and is not administered directly to animals. Its derivatives and the compounds synthesized from it may be evaluated in animal models depending on the therapeutic area of interest. The compound is handled in chemistry laboratories for organic synthesis applications.
|
| Enzyme Assay |
For non-cellular assays, 5-bromonicotinic acid is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated in cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings as a coupling partner. Typical protocols involve reacting the bromonicotinic acid with boronic acids or amines in the presence of palladium catalysts and appropriate bases. Reaction progress is monitored by TLC or HPLC. Purity is typically ≥95%.
|
| Cell Assay |
5-Bromonicotinic acid is not typically used in direct cell-based assays as it is a chemical intermediate. The compound is used as a building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken. The compound is a solid at room temperature and should be stored in a cool, dry place protected from light.
|
| Animal Protocol |
5-Bromonicotinic acid is not used in animal studies as it is a chemical reagent. The compound is handled in chemistry laboratories for organic synthesis applications. Storage: keep in a cool, dry place, protected from light and moisture. The compound should be stored in a tightly sealed container. Standard handling procedures for brominated compounds and carboxylic acids should be followed.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable for 5-bromonicotinic acid as it is a synthetic intermediate. The compound has a molecular weight of 202.01 and molecular formula C6H4BrNO2. It is a white to off-white crystalline solid. The compound is stable under recommended storage conditions. Storage: keep in a cool, dry place protected from light and moisture. Purity: typically ≥95% to ≥98%. The compound is supplied for research use only. Solubility: soluble in organic solvents and basic aqueous solutions.
|
| Toxicity/Toxicokinetics |
Toxicological data for 5-bromonicotinic acid are limited. Brominated compounds can be hazardous; the compound may cause skin, eye, and respiratory irritation. The compound is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported.
|
| Additional Infomation |
The structure given in the first document
5-Bromonicotinic acid (CAS 20826-04-4) is a brominated pyridine carboxylic acid used as a pharmaceutical intermediate and building block in organic synthesis. It is also known as 5-bromo-3-pyridinecarboxylic acid or 5-bromopyridine-3-carboxylic acid. The compound is used in Suzuki-Miyaura and Buchwald-Hartwig cross-coupling reactions for the synthesis of diverse bioactive molecules. No clinical trials or therapeutic approvals exist; the product is exclusively for research purposes. |
| Molecular Formula |
C6H4BRNO2
|
|---|---|
| Molecular Weight |
202.01
|
| Exact Mass |
200.942
|
| CAS # |
20826-04-4
|
| PubChem CID |
88707
|
| Appearance |
White to off-white solid powder
|
| Density |
1.8±0.1 g/cm3
|
| Boiling Point |
328.5±27.0 °C at 760 mmHg
|
| Melting Point |
178-180 °C(lit.)
|
| Flash Point |
152.5±23.7 °C
|
| Vapour Pressure |
0.0±0.8 mmHg at 25°C
|
| Index of Refraction |
1.617
|
| LogP |
1.22
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
10
|
| Complexity |
140
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
OC(C1=CN=CC(Br)=C1)=O
|
| InChi Key |
FQIUCPGDKPXSLL-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
|
| Chemical Name |
5-bromopyridine-3-carboxylic acid
|
| 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 | 4.9502 mL | 24.7512 mL | 49.5025 mL | |
| 5 mM | 0.9901 mL | 4.9502 mL | 9.9005 mL | |
| 10 mM | 0.4950 mL | 2.4751 mL | 4.9502 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
