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| Targets |
BAZ1A[1]
BAZ1A-IN-1 targets the bromodomain of BAZ1A (bromodomain adjacent to zinc finger domain protein 1A). The compound binds to the acetyl-lysine binding pocket of the BAZ1A bromodomain with a KD of 0.52 μM. By blocking the interaction of BAZ1A with acetylated histones, BAZ1A-IN-1 disrupts the recruitment of BAZ1A to chromatin, thereby modulating gene expression programs that depend on BAZ1A-mediated chromatin remodeling. The selective inhibition of BAZ1A over other bromodomain-containing proteins has not been fully characterized, but the compound is described as a potent BAZ1A inhibitor. The target is of interest in cancer research because BAZ1A is involved in DNA damage repair, transcriptional regulation, and maintenance of genomic stability, and its dysregulation has been implicated in various cancers. |
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| ln Vitro |
BAZ1A-IN-1 (Cpd-2) (0.015-100 μM; 96 hours) demonstrated strong anti-survival efficacy against THP-1, ZR-75-30, and all four cancer cell lines with high BAZ1A expression levels. BT474 and H1975 cells have IC50 values of 5.08 μM, 4.29 μM, 10.65 μM, and 7.70 μM, respectively [1].
BAZ1A-IN-1 exhibits potent in vitro activity against cancer cell lines that express high levels of BAZ1A. In a panel of four cancer cell lines with high BAZ1A expression, including THP-1 (acute monocytic leukemia), ZR-75-30 (breast cancer), BT474 (breast cancer), and H1975 (non-small cell lung cancer), BAZ1A-IN-1 demonstrated good anti-viability activity with IC50 values of 5.08 μM, 4.29 μM, 10.65 μM, and 7.70 μM, respectively. In contrast, the compound showed weak or no activity against cancer cells with low BAZ1A expression, confirming that its cytotoxic effects are dependent on the presence of the target protein. The compound's anti-survival activity is observed after treatment for 96 hours at concentrations ranging from 0.015 to 100 μM. |
| ln Vivo |
No detailed in vivo activity data for BAZ1A-IN-1 has been published in the available literature. The compound's effects have been primarily characterized in vitro, using cancer cell lines with differential BAZ1A expression. Further studies would be needed to evaluate the efficacy of BAZ1A-IN-1 in animal models of cancer, such as xenograft models, and to determine its pharmacokinetic and pharmacodynamic properties in vivo. The compound’s selectivity for BAZ1A and its potent in vitro activity suggest that it could have antitumor activity in vivo, but this has not yet been demonstrated in published studies.
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| Enzyme Assay |
The binding affinity of BAZ1A-IN-1 to the BAZ1A bromodomain can be determined using surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC). In a typical SPR assay, recombinant BAZ1A bromodomain protein is immobilized on a sensor chip, and varying concentrations of BAZ1A-IN-1 are injected over the surface. The association rate (ka), dissociation rate (kd), and equilibrium dissociation constant (KD) are calculated from the sensorgram data using a 1:1 Langmuir binding model. Alternatively, a fluorescence polarization (FP) competition assay can be used, where a fluorescently labeled acetylated histone peptide is incubated with the BAZ1A bromodomain, and the displacement of the peptide by increasing concentrations of BAZ1A-IN-1 is measured. The IC50 from the FP assay can be converted to a KD value using the Cheng-Prusoff equation.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: THP-10 (leukemia), ZR-75-30 (breast cancer), BT474 (breast cancer), H1975 (lung cancer) cells Tested Concentrations: 0.015-100 μM Incubation Duration: 96 hrs (hours) Experimental Results: Dramatically inhibited the viability activity in four cancer cell lines which all expressed high levels of BAZ1A. The in vitro cellular activity of BAZ1A-IN-1 is assessed using a panel of cancer cell lines with known BAZ1A expression levels. Cells are seeded in 96-well plates and treated with escalating concentrations of BAZ1A-IN-1 (0.015 to 100 μM) for 96 hours. Cell viability is measured using MTT, XTT, or CellTiter-Glo assays, and the half-maximal inhibitory concentration (IC50) values are calculated from dose-response curves. The correlation between BAZ1A expression levels and sensitivity to BAZ1A-IN-1 is assessed by Western blotting or quantitative PCR to confirm target dependency. Apoptosis is assessed by flow cytometry using annexin V/propidium iodide staining or by measuring caspase-3/7 activity. The effects of BAZ1A-IN-1 on downstream gene expression can be evaluated by RNA sequencing or quantitative PCR to identify BAZ1A-regulated transcriptional programs. |
| Animal Protocol |
No in vivo animal model data for BAZ1A-IN-1 has been published in the available literature. The compound has not been evaluated in xenograft models or other animal studies to assess its antitumor efficacy or pharmacokinetic properties. As a research tool, BAZ1A-IN-1 is currently used primarily for in vitro studies to investigate the biological function of BAZ1A and to validate it as a potential therapeutic target. Future studies may involve the use of xenograft models to assess the in vivo efficacy of BAZ1A-IN-1, either alone or in combination with other anticancer agents.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data for BAZ1A-IN-1 has been published in the available literature. As a small molecule with a molecular weight of 340.36 g/mol, BAZ1A-IN-1 is likely to have favorable drug-like properties. The compound is soluble in DMSO at a concentration of 80 mg/mL (235.05 mM), indicating good solubility. Further studies would be needed to characterize the absorption, distribution, metabolism, and excretion (ADME) properties of BAZ1A-IN-1, including oral bioavailability, plasma protein binding, clearance, half-life, and tissue distribution. The compound’s pharmacokinetic profile would be essential for determining appropriate dosing regimens for in vivo efficacy studies and for assessing its potential for clinical development.
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| Toxicity/Toxicokinetics |
No detailed toxicity data for BAZ1A-IN-1 has been published in the available literature. As a research compound, BAZ1A-IN-1 has not been subjected to comprehensive toxicology studies. The compound’s selectivity for BAZ1A over other bromodomain-containing proteins and its target-dependent activity in cancer cells with high BAZ1A expression suggest that it could have a manageable safety profile, with toxicity potentially limited to cells that depend on BAZ1A function. However, off-target effects and the potential for toxicity in normal tissues would need to be carefully assessed in future studies.
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| References | |
| Additional Infomation |
BAZ1A-IN-1 is a potent and selective inhibitor of the BAZ1A bromodomain, with a KD of 0.52 μM. The compound demonstrates strong anti-survival activity against cancer cell lines with high BAZ1A expression, including THP-1, ZR-75-30, BT474, and H1975 cells, with IC50 values ranging from 4.29 μM to 10.65 μM. BAZ1A-IN-1 is available as a research compound from various suppliers for preclinical studies. The compound is a valuable tool for studying the role of BAZ1A in chromatin remodeling, gene expression, and cancer biology.
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| Molecular Formula |
C16H12N4O3S
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|---|---|
| Molecular Weight |
340.356481552124
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| Exact Mass |
340.063
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| CAS # |
941521-45-5
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| PubChem CID |
19257149
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
453
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(NC1C=C([N+](=O)[O-])C=CC=1)NC1SC=C(C2C=CC=CC=2)N=1
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| InChi Key |
UJRJAZDAWUSWRK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H12N4O3S/c21-15(17-12-7-4-8-13(9-12)20(22)23)19-16-18-14(10-24-16)11-5-2-1-3-6-11/h1-10H,(H2,17,18,19,21)
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| Chemical Name |
1-(3-nitrophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
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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) |
DMSO : 25 mg/mL (73.45 mM)
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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 | 2.9381 mL | 14.6903 mL | 29.3807 mL | |
| 5 mM | 0.5876 mL | 2.9381 mL | 5.8761 mL | |
| 10 mM | 0.2938 mL | 1.4690 mL | 2.9381 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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