| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| Other Sizes |
| Targets |
IC50: 1.1 μM (PBRM1-BD2)[1]
PBRM1-BD2-IN-3 specifically targets the second bromodomain (BD2) of PBRM1 (Polybromo 1). PBRM1 is a component of the PBAF (SWI/SNF-related) chromatin remodeling complex and plays a role in regulating gene transcription. By inhibiting the PBRM1-BD2, the compound modulates chromatin remodeling and gene expression, providing insights into the role of PBRM1 in cancer biology. |
|---|---|
| ln Vitro |
In vitro, PBRM1-BD2-IN-3 is a potent inhibitor of PBRM1-BD2 with an IC₅₀ of 1.1 μM. This activity demonstrates its ability to bind to the bromodomain and potentially disrupt PBRM1-dependent functions in cancer cells.
|
| ln Vivo |
In vivo activity of PBRM1-BD2-IN-3 is not extensively detailed in publicly available sources. As a potent PBRM1-BD2 inhibitor, it is being investigated for its potential in anticancer research.
|
| Enzyme Assay |
The binding affinity and inhibitory activity of PBRM1-BD2-IN-3 are assessed using biochemical assays such as AlphaScreen or fluorescence polarization. Recombinant PBRM1-BD2 protein is incubated with a labeled acetylated histone peptide and varying concentrations of the compound to determine the IC₅₀.
|
| Cell Assay |
Cellular assays for PBRM1-BD2-IN-3 involve treating cancer cell lines with the compound and assessing cell viability, proliferation, and changes in gene expression related to PBRM1 function.
|
| Animal Protocol |
In vivo studies are conducted in mouse xenograft models of cancers with PBRM1 mutations. The compound is administered via intraperitoneal (i.p.) injection or oral gavage, and tumor growth inhibition is monitored.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of PBRM1-BD2-IN-3 are not extensively detailed in publicly available sources.
|
| Toxicity/Toxicokinetics |
PBRM1-BD2-IN-3 is intended for research use only and is not approved for clinical use. Its toxicological profile would be evaluated in preclinical studies.
|
| References |
[1]. Shishodia S, et al. Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening. J Med Chem. 2022 Oct 13.
|
| Additional Infomation |
PBRM1-BD2-IN-3 is a potent and selective inhibitor of the PBRM1 bromodomain 2, used as a tool for studying the role of PBRM1 in cancer, particularly in clear cell renal cell carcinoma. The compound has a molecular weight of 258.7.
|
| Molecular Formula |
C14H11CLN2O
|
|---|---|
| Molecular Weight |
258.70
|
| Exact Mass |
258.055
|
| CAS # |
2819989-58-5
|
| PubChem CID |
164880764
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
3.2
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
18
|
| Complexity |
317
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC=C(C=C1)C2NC3=C(C(=CC=C3)Cl)C(=O)N2
|
| InChi Key |
ODBQDJLEOQRRNZ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H11ClN2O/c15-10-7-4-8-11-12(10)14(18)17-13(16-11)9-5-2-1-3-6-9/h1-8,13,16H,(H,17,18)
|
| Chemical Name |
5-chloro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
|
| HS Tariff Code |
2934.99.9001
|
| 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) |
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
|
|---|---|
| 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 | 3.8655 mL | 19.3274 mL | 38.6548 mL | |
| 5 mM | 0.7731 mL | 3.8655 mL | 7.7310 mL | |
| 10 mM | 0.3865 mL | 1.9327 mL | 3.8655 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
