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| Targets |
4-Chloro-N-methylpicolinamide targets the BAZ2A bromodomain, an epigenetic reader protein that recognizes acetylated lysine residues on histones. The BAZ2A bromodomain is involved in the regulation of gene transcription, chromatin remodeling, and DNA replication. The compound forms a weak hydrogen bond with the carbonyl oxygen of Pro1817, with a Kd >500 uM, indicating low affinity. The compound also inhibits protein synthesis in cancer cells, leading to growth inhibition. It may also inhibit bcr/abl kinase. The primary mechanism of action for its anti-proliferative effects is not fully elucidated.
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| ln Vitro |
4-Chloro-N-methylpicolinamide has been shown to inhibit the growth of human hepatocellular carcinoma cells, bcr/abl kinase, and HCT116 cells by inhibiting protein synthesis. It also inhibits the proliferation of MDA-MB231 breast cancer cells by blocking growth factor signaling. It is a BAZ2A bromodomain inhibitor with a Kd >500 uM, indicating weak affinity. The compound shows inhibitory activity in cancer cell lines, making it a candidate for cancer treatment. Specific IC₅0 values for cancer cell lines are not provided in the search results, but the compound is described as a candidate for cancer treatment.
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| ln Vivo |
No specific in vivo activity data for 4-Chloro-N-methylpicolinamide is available in the search results. As a BAZ2A bromodomain inhibitor and a potential anticancer agent, it could be evaluated in xenograft mouse models of cancer (e.g., hepatocellular carcinoma, breast cancer, leukemia). The compound is a candidate for cancer treatment and has been studied in the context of aggressive prostate cancer. It may inhibit the growth of cancer cells by inhibiting protein synthesis. In vivo studies would be required to evaluate its efficacy and toxicity.
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| Enzyme Assay |
In vitro BAZ2A bromodomain binding assay (ITC or SPR): The binding affinity of 4-Chloro-N-methylpicolinamide to the BAZ2A bromodomain is measured by isothermal titration calorimetry (ITC) or surface plasmon resonance (SPR). For ITC, the purified BAZ2A bromodomain is titrated with the compound (up to 500 uM), and the Kd is calculated. For SPR, the BAZ2A bromodomain is immobilized on a sensor chip, and varying concentrations of the compound (1-1000 uM) are injected. The weak hydrogen bond with Pro1817 is confirmed by X-ray crystallography or by mutational analysis. The Kd >500 uM indicates weak affinity.
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| Cell Assay |
Cellular proliferation and protein synthesis inhibition assay: Cancer cells (e.g., HepG2 for hepatocellular carcinoma, HCT116 for colon cancer, MDA-MB-231 for breast cancer, K562 for leukemia) are seeded in 96-well plates (5,000-10,000 cells/well) and treated with 4-Chloro-N-methylpicolinamide (0.1-1000 uM) for 48-72 hours. Cell viability is measured by MTT or CellTiter-Glo. Protein synthesis inhibition can be assessed by [3⁵S]-methionine/cysteine metabolic labeling or by a non-radioactive puromycin incorporation assay (SUnSET). To assess selectivity, the compound can be tested against a panel of bromodomains to determine its selectivity profile. No specific IC₅0 for cancer cell lines is detailed.
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| Animal Protocol |
No specific in vivo animal protocol for 4-Chloro-N-methylpicolinamide is available. For a xenograft model of aggressive prostate cancer, male athymic nude mice (6-8 weeks old) are subcutaneously inoculated with 5×10⁶ PC-3 or DU145 cells (androgen-independent, aggressive prostate cancer cells) in 0.1 mL PBS/Matrigel (1:1). When tumors reach ~100-150 mm3, mice are randomized into treatment groups (n=6-8/group). The compound is formulated in 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline and administered intraperitoneally at 10-100 mg/kg once daily for 3-4 weeks. Tumor volume is measured every 3 days with calipers. At endpoint, tumors are excised and processed for histology (H&E staining), immunohistochemistry (Ki-67 proliferation index, cleaved caspase-3 apoptosis). This protocol is for research on aggressive prostate cancer; no specific data for the compound is available.
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| ADME/Pharmacokinetics |
No specific PK data for 4-Chloro-N-methylpicolinamide is available. As a small, polar molecule (MW 170.60, LogP ~1.0-2.0), it is expected to have moderate water solubility and may be orally bioavailable. The compound contains an amide group, which may be metabolized by amidases or CYP450 enzymes. Half-life in rodents is expected to be 2-6 hours. For research use, the compound can be formulated in 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline for in vivo administration. For in vitro use, it is soluble in DMSO.
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| Toxicity/Toxicokinetics |
For 4-Chloro-N-methylpicolinamide, hazard statements: H302 (Harmful if swallowed), H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes). Storage: at room temperature in a tightly sealed container, protected from light and moisture. For research use only.
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| References | |
| Additional Infomation |
4-Chloro-N-methylpicolinamide (CAS# 220000-87-3) is a research-grade polar organic compound with weak BAZ2A bromodomain inhibitory activity (Kd >500 uM). It has shown anti-proliferative activity against cancer cell lines and is used in research on cancer (including aggressive prostate cancer) and epigenetics. It is not an FDA-approved drug. For research use only, not for diagnostic or therapeutic applications.
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| Molecular Formula |
C7H7CLN2O
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| Molecular Weight |
170.60
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| Exact Mass |
170.025
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| CAS # |
220000-87-3
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| PubChem CID |
1476814
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| Appearance |
White to light yellow solid powder
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
151
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CNC(=O)C1=NC=CC(=C1)Cl
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| InChi Key |
BGVBBMZMEKXUTR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C7H7ClN2O/c1-9-7(11)6-4-5(8)2-3-10-6/h2-4H,1H3,(H,9,11)
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| Chemical Name |
4-chloro-N-methylpyridine-2-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 | 5.8617 mL | 29.3083 mL | 58.6166 mL | |
| 5 mM | 1.1723 mL | 5.8617 mL | 11.7233 mL | |
| 10 mM | 0.5862 mL | 2.9308 mL | 5.8617 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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