| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
IC50: 0.16 μM (PBRM1-BD2)[1]
PBRM1 (Polybromo-1) Bromodomain 2 (BD2). The compound binds selectively to the BD2 domain of PBRM1 with high affinity (Kd=4.4 μM, IC50=0.16 μM), while showing significantly weaker binding to the BD5 domain (Kd=25 μM), indicating domain selectivity within the PBRM1 protein. |
|---|---|
| ln Vitro |
PBRM1-BD2-IN-8 (0-100 μM; 48 h) prevents prostate cancer cells dependent on PBRM1 from growing[1].
In vitro, PBRM1-BD2-IN-8 (compound 34) exhibits potent inhibitory activity against PBRM1-BD2 with an IC50 of 0.16 μM and a binding affinity (Kd) of 4.4 μM. It shows selective binding over PBRM1-BD5 (Kd=25 μM). The compound (0-100 μM; 48 hours) inhibits the growth of PBRM1-dependent prostate cancer cells, demonstrating its functional cellular activity and anticancer potential. |
| ln Vivo |
In vivo activity data for PBRM1-BD2-IN-8 are currently limited. Based on its potent in vitro activity against PBRM1-dependent cancer cell lines, the compound is expected to exhibit antitumor efficacy in appropriate in vivo models. Further studies are needed to evaluate its pharmacokinetic properties and therapeutic potential in animal models of cancer.
|
| Enzyme Assay |
PBRM1-BD2 binding affinity is measured using isothermal titration calorimetry (ITC) or surface plasmon resonance (SPR) with recombinant PBRM1-BD2 and BD5 domains. Inhibitory activity (IC50) is determined using a fluorescence polarization (FP) or AlphaScreen-based bromodomain binding assay, where a known acetylated histone peptide competitor is used. The IC50 value of 0.16 μM reflects the concentration required to displace 50% of the tracer from the BD2 domain.
|
| Cell Assay |
Cell Viability Assay[1]
Cell Types: LNCaP cells Tested Concentrations: 0-100 μM Incubation Duration: 48 hrs (hours) Experimental Results: Inhibited the growth of LNCaP cells with IC50 value of about 9 μM. PBRM1-dependent prostate cancer cells are cultured in appropriate medium and treated with PBRM1-BD2-IN-8 at concentrations ranging from 0-100 μM for 48 hours. Cell viability is assessed using CellTiter-Glo or MTT assays. The compound's effects on cell proliferation are compared between PBRM1-dependent and PBRM1-independent cell lines to confirm target-specific antiproliferative activity. |
| Animal Protocol |
Cells are typically grown to 70-80% confluence before treatment. A standard dosing regimen for xenograft studies would involve daily oral or intraperitoneal administration of the compound at doses determined from preliminary pharmacokinetic studies. Tumor volume measurements and endpoint analyses (IHC for proliferation and apoptosis markers) would be performed. Specific in vivo protocols require further development.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic parameters for PBRM1-BD2-IN-8 are not fully characterized in the available literature. The compound has a molecular weight of 317.18, molecular formula C15H13BrN2O, and shows good solubility in DMSO (100 mg/mL, 315.28 mM). Its oral bioavailability, half-life, and tissue distribution require further investigation in preclinical pharmacokinetic studies.
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| Toxicity/Toxicokinetics |
No comprehensive toxicity data are currently available for PBRM1-BD2-IN-8. As a research-grade bromodomain inhibitor, its safety profile has not been extensively characterized. Standard preclinical toxicology studies, including acute and repeated-dose toxicity assessments in rodents, would be necessary to evaluate its safety margin for potential therapeutic applications.
|
| References | |
| Additional Infomation |
PBRM1-BD2-IN-8 (compound 34) is a research chemical probe for epigenetic studies, specifically targeting the PBRM1 bromodomain. It is identified as an Epigenetic Reader Domain inhibitor with a purity of >99% and molecular formula C15H13BrN2O. The compound is supplied as a solid powder and should be stored at -20°C. It is for research use only and has not entered clinical trials or received FDA approval. References include Shishodia S, et al. J Med Chem. 2022 Oct 13.
|
| Molecular Formula |
C15H13BRN2O
|
|---|---|
| Molecular Weight |
317.180522680283
|
| Exact Mass |
316.021
|
| CAS # |
2819989-75-6
|
| PubChem CID |
164880766
|
| Appearance |
Off-white to light yellow solid powder
|
| LogP |
3.6
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
19
|
| Complexity |
349
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N1C2=C(C(Br)=CC=C2)C(=O)NC1C1=CC=CC(C)=C1
|
| InChi Key |
PXWIXTCIXZCREB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H13BrN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)
|
| Chemical Name |
5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
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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)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~315.28 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.88 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1528 mL | 15.7639 mL | 31.5278 mL | |
| 5 mM | 0.6306 mL | 3.1528 mL | 6.3056 mL | |
| 10 mM | 0.3153 mL | 1.5764 mL | 3.1528 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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