| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
There is no specific biological target for this compound itself. It is a synthetic intermediate; the amino, bromo, and nitro groups provide handles for further functionalization (e.g., Suzuki coupling, reduction, amidation) to create compounds targeting various enzymes such as PI3K, CDK, or BTK.
|
|---|---|
| ln Vitro |
No direct in vitro biological activity is reported for 2-Amino-5-bromo-3-nitropyridine. Its derivatives have shown antiproliferative activity in cancer cell lines with IC50 values in the low micromolar range (e.g., 0.5-5 uM). The parent compound has no known intrinsic activity.
|
| ln Vivo |
No specific in vivo activity for the parent compound. Its derivatives have demonstrated in vivo efficacy in xenograft mouse models (e.g., tumor growth inhibition at 10-50 mg/kg). The parent compound itself is not used in animals.
|
| Enzyme Assay |
Not applicable. Standard characterization includes HPLC for purity (>95%), NMR, and mass spectrometry. No enzyme binding assay is performed on this intermediate.
|
| Cell Assay |
A general protocol: If testing for cytotoxicity, cells are seeded in 96-well plates, treated with 2-Amino-5-bromo-3-nitropyridine (0.1-100 uM, diluted from DMSO stock) for 48-72 hours, and viability measured by MTT. However, this is not standard as it is a synthetic intermediate, not a screening compound.
|
| Animal Protocol |
No in vivo protocol exists for this compound. It is not administered to animals.
|
| ADME/Pharmacokinetics |
PK properties are not applicable. The compound has low water solubility (logP ~2). It is stable under normal storage conditions. Formulation for synthesis is in DMF, DMSO, or acetonitrile.
|
| Toxicity/Toxicokinetics |
Toxicity: As a brominated nitroaromatic amine, it may be a skin and eye irritant. Nitroaromatics can be potentially toxic via reduction to amines. It may cause methemoglobinemia at high doses. Use standard PPE (gloves, goggles) and work in a fume hood. Not for human use.
|
| Additional Infomation |
2-Amino-5-bromo-3-nitropyridine is a versatile intermediate in the synthesis of pyridine-based pharmaceuticals, particularly for compounds active against cancers and inflammatory diseases. The bromine atom allows for cross-coupling; the nitro group can be reduced to an amino group for further derivatization. This product is for research use only.
|
| Molecular Formula |
C5H4BRN3O2
|
|---|---|
| Molecular Weight |
218.01
|
| Exact Mass |
216.948
|
| CAS # |
6945-68-2
|
| PubChem CID |
138878
|
| Appearance |
Light yellow to yellow solid powder
|
| Density |
1.9±0.1 g/cm3
|
| Boiling Point |
302.9±37.0 °C at 760 mmHg
|
| Melting Point |
205-208 °C(lit.)
|
| Flash Point |
137.0±26.5 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.683
|
| LogP |
2.79
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
11
|
| Complexity |
160
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
NC1=NC=C(Br)C=C1[N+]([O-])=O
|
| InChi Key |
QOOCOFOGYRQPPN-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C5H4BrN3O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H,(H2,7,8)
|
| Chemical Name |
5-bromo-3-nitropyridin-2-amine
|
| 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)
|
| 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 | 4.5869 mL | 22.9347 mL | 45.8695 mL | |
| 5 mM | 0.9174 mL | 4.5869 mL | 9.1739 mL | |
| 10 mM | 0.4587 mL | 2.2935 mL | 4.5869 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
