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| Targets |
Isonicotinamide strongly induces apoptosis in human acute myelomonocytic leukemia cells, HL-60. It has been shown to be active against resistant microorganisms, including multidrug-resistant Mycobacterium tuberculosis and MRSA. The compound serves as a critical intermediate in the synthesis of isoniazid, a first-line anti-tuberculosis drug. As a pharmaceutical intermediate, it is used to synthesize cefalonium. The compound's mechanism of action involves apoptosis induction in cancer cells and antimicrobial activity.
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| ln Vitro |
In vitro, isonicotinamide strongly induces apoptosis in HL-60 human leukemia cells. It has been shown to be active against multidrug-resistant M. tuberculosis and MRSA. The compound is used as a pharmaceutical intermediate. Pd(II)-isonicotinamide complexes exhibit enhanced in vitro anti-M. tuberculosis activity. Cellular assays typically evaluate its anticancer or antimicrobial activity. The compound's ability to induce apoptosis makes it valuable for cancer research.
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| ln Vivo |
In vivo data for isonicotinamide is limited. As a metabolite of isonicotinic thioamide and an intermediate in isoniazid synthesis, it may have relevance to tuberculosis treatment. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. It has antimicrobial activity against drug-resistant strains. Specific in vivo data for the parent compound is not available in the public literature. The compound's role as an isoniazid intermediate is its primary therapeutic relevance.
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| Enzyme Assay |
In vitro anticancer assays for isonicotinamide typically evaluate its apoptosis-inducing activity in leukemia cells. A standard protocol involves culturing HL-60 or other leukemia cell lines in growth medium at 37°C with 5% CO₂. Cells are treated with varying concentrations of the compound (typically 0.1-1000 μM). Apoptosis is assessed using flow cytometry with Annexin V/PI staining, caspase activity assays, or DNA fragmentation analysis. Cell viability is assessed using MTT or similar assays. IC₅₀ values are calculated from dose-response curves.
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| Cell Assay |
Antimicrobial assays for isonicotinamide typically evaluate its activity against M. tuberculosis and other bacteria. A standard protocol involves culturing bacterial strains in appropriate growth medium. The compound is dissolved in an appropriate solvent and diluted to working concentrations. Antimicrobial activity is assessed by measuring minimum inhibitory concentration (MIC) using broth microdilution or agar diffusion methods. For M. tuberculosis, specialized media and extended incubation times are used. MIC values are recorded. Pd(II)-isonicotinamide complexes can also be evaluated.
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| Animal Protocol |
In vivo animal studies for isonicotinamide are not standard, as it is primarily a research reagent and synthetic intermediate. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. Any animal studies would typically be conducted on isoniazid or other drugs synthesized using this intermediate. The compound's primary value lies in its use as a pharmaceutical intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for isonicotinamide is limited. The compound has a molecular weight of 122.12 g/mol. It is stored as a solid at room temperature. As a nicotinamide analogue, it may be metabolized similarly to nicotinamide. The compound's role as an isoniazid intermediate is relevant for understanding isoniazid metabolism. Specific ADME data is not available in the public literature.
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| Toxicity/Toxicokinetics |
Toxicological data for isonicotinamide is limited. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
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| Additional Infomation |
Isonicotinamide is a pyridinecarboxamide, a monocarboxylic acid amide derivative of isonicotinic acid. It is functionally related to isonicotinic acid. Isonicotinamide has been reported to have been found in common bean (Phaseolus vulgaris), and relevant data are available for reference.
Isonicotinamide (CAS 1453-82-3) is a biochemical reagent and pharmaceutical intermediate with a molecular weight of 122.12 g/mol. It induces apoptosis in HL-60 leukemia cells and is active against drug-resistant M. tuberculosis and MRSA. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent. Its applications are limited to research and as a pharmaceutical intermediate. |
| Molecular Formula |
C6H6N2O
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|---|---|
| Molecular Weight |
122.13
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| Exact Mass |
122.048
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| CAS # |
1453-82-3
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| Related CAS # |
Isonicotinamide-d4;1219799-40-2
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| PubChem CID |
15074
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
334.4±15.0 °C at 760 mmHg
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| Melting Point |
155-157 °C(lit.)
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| Flash Point |
156.0±20.4 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.570
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| LogP |
-0.28
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
9
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| Complexity |
108
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=C(C=CN=C1)C(=O)N
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| InChi Key |
VFQXVTODMYMSMJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
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| Chemical Name |
pyridine-4-carboxamide
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| HS Tariff Code |
2934.99.9001
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| 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)
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| 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
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| 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 | 8.1880 mL | 40.9400 mL | 81.8800 mL | |
| 5 mM | 1.6376 mL | 8.1880 mL | 16.3760 mL | |
| 10 mM | 0.8188 mL | 4.0940 mL | 8.1880 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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