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| Targets |
BRD32048 targets the ETS variant 1 (ETV1) transcription factor oncoprotein. It is a direct binder that inhibits ETV1 transcriptional activity. By binding to ETV1, the compound modulates its activity and promotes its degradation through the inhibition of p300-dependent acetylation. This disruption of ETV1 signaling inhibits the growth and invasion of cancer cells that depend on this oncoprotein.
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| ln Vitro |
In vitro, BRD32048 has been shown to bind to ETV1 with a Kd of 17.1 µM. It inhibits ETV1-mediated transcriptional activity in cell-based reporter assays. The compound also inhibits the invasion of ETV1-driven cancer cells. These effects are consistent with its mechanism of action as an ETV1 inhibitor.
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| ln Vivo |
In vivo, BRD32048 is being evaluated for its anti-cancer activity. As an inhibitor of ETV1, it is expected to inhibit tumor growth in ETV1-dependent cancers. The compound's ability to bind directly to ETV1 and promote its degradation makes it a promising candidate for targeted cancer therapy.
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| Enzyme Assay |
In vitro enzyme or receptor binding (non-cell) assays for BRD32048 involve studying its direct binding to ETV1. Surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) can be used to measure the binding affinity (Kd). The compound's ability to inhibit p300-mediated acetylation of ETV1 can be assessed using a cell-free acetylation assay with purified proteins.
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| Cell Assay |
In vitro cell-based assays for BRD32048 are performed using cancer cell lines that express ETV1. Cells are treated with the compound, and ETV1 transcriptional activity is measured using a luciferase reporter assay. The compound's effects on cell invasion are assessed using transwell assays. The expression and acetylation of ETV1 are analyzed by Western blotting.
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| Animal Protocol |
In vivo animal experiments for BRD32048 are conducted using mouse xenograft models of ETV1-driven cancers. Mice bearing subcutaneous tumors are treated with the compound, and tumor volume is measured over time. The compound's effects on tumor growth and survival are evaluated.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of BRD32048 have been characterized to support its use as a research tool. The compound has a molecular weight of 326.40 and a formula of C₁₆H₂₂N₆O. It is soluble in DMSO. Specific PK parameters, such as half-life and bioavailability, are determined in preclinical studies via LC-MS/MS analysis of plasma samples.
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| Toxicity/Toxicokinetics |
Toxicology (toxicology) data for BRD32048 are typical of a research compound. It is generally well-tolerated at effective doses. The safety profile is being evaluated in the context of its use as a research tool to study ETV1 biology.
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| References | |
| Additional Infomation |
N2-(4-methoxyphenyl)-6-(1-piperidinylmethyl)-1,3,5-triazine-2,4-diamine is a type of methoxyphenyl compound and a substituted aniline.
Other information: BRD32048 is a research compound used to study the role of ETV1 in cancer. It is available from chemical suppliers for preclinical research purposes. |
| Molecular Formula |
C16H22N6O
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|---|---|
| Molecular Weight |
314.39
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| Exact Mass |
314.185
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| CAS # |
433694-46-3
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| PubChem CID |
704129
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
545.3±60.0 °C at 760 mmHg
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| Flash Point |
283.6±32.9 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.650
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| LogP |
1.23
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
23
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| Complexity |
344
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCCCC3
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| InChi Key |
PVHJDJWPRZUURH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H22N6O/c1-23-13-7-5-12(6-8-13)18-16-20-14(19-15(17)21-16)11-22-9-3-2-4-10-22/h5-8H,2-4,9-11H2,1H3,(H3,17,18,19,20,21)
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| Chemical Name |
2-N-(4-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
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| Synonyms |
BRD 32048; BRD-32048; BRD32048
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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 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)
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| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~397.60 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 | 3.1808 mL | 15.9038 mL | 31.8076 mL | |
| 5 mM | 0.6362 mL | 3.1808 mL | 6.3615 mL | |
| 10 mM | 0.3181 mL | 1.5904 mL | 3.1808 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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