| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Other Sizes |
| Targets |
The primary target of Bromodomain inhibitor-8 is the bromodomain and extra-terminal (BET) family of proteins, specifically the bromodomains of BRD2, BRD3, and BRD4. BET proteins are epigenetic readers that play a crucial role in regulating gene transcription by recognizing and binding to acetylated lysine residues on histone tails. This interaction recruits transcriptional regulatory complexes, including the positive transcription elongation factor b (P-TEFb), which promotes the elongation of RNA polymerase II and the expression of target genes. By binding to the acetyl-lysine recognition pocket of BET bromodomains with high affinity, Bromodomain inhibitor-8 competitively disrupts this interaction. This leads to the displacement of BET proteins from chromatin and the downregulation of genes that are dependent on BET-mediated transcriptional regulation. Key target genes include those involved in inflammation (e.g., TNF-α, IL-6), cell cycle progression (e.g., c-MYC), and oncogenesis, making BET inhibition a promising strategy for autoimmune diseases, inflammatory disorders, and cancer.
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| ln Vitro |
Bromodomain inhibitor-8 demonstrates potent in vitro activity as a BET bromodomain inhibitor. While specific IC50 values for individual BET family members are not detailed in the available sources, the compound is described as a "potent" inhibitor, indicating strong binding affinity for the bromodomains. Its mechanism of action has been validated in cell-based assays, where it has been shown to suppress the expression of BET-dependent genes, such as c-MYC and inflammatory cytokines. The compound's physicochemical properties, including a molecular weight of 448.94 and a molecular formula of C₂₆H₂₅ClN₂O₃, are consistent with a drug-like small molecule. It is highly soluble in DMSO (up to 100 mg/mL) and can be formulated for both in vitro and in vivo studies. Its high purity (≥98%) ensures reliable and reproducible results in experimental settings.
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| ln Vivo |
In vivo activity data for Bromodomain inhibitor-8 are not extensively detailed in publicly available sources. However, as a BET bromodomain inhibitor, it is expected to exhibit anti-inflammatory and immunomodulatory effects in animal models. BET inhibition has been shown to attenuate the production of pro-inflammatory cytokines, reduce immune cell activation, and ameliorate disease severity in models of autoimmune and inflammatory diseases, such as rheumatoid arthritis, psoriasis, and inflammatory bowel disease. The compound's potential for treating these conditions is supported by the broader literature on BET inhibitors. For research use, Bromodomain inhibitor-8 can be administered via intraperitoneal or oral routes using formulations such as 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline.
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| Enzyme Assay |
In vitro enzyme assays for Bromodomain inhibitor-8 typically involve measuring its binding affinity for BET bromodomains. A common approach is the use of a time-resolved fluorescence resonance energy transfer (TR-FRET) or AlphaScreen assay. In these assays, a tagged BET bromodomain protein and a fluorescently or biotinylated acetylated histone peptide are incubated with varying concentrations of the test compound. The compound competes with the peptide for binding to the bromodomain, leading to a decrease in the signal. The IC50 value, representing the concentration required to displace 50% of the peptide, is determined from the resulting dose-response curve. To assess selectivity, the compound is typically screened against a panel of other bromodomains and epigenetic reader proteins to confirm its specificity for the BET family.
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| Cell Assay |
In vitro cell-based assays for Bromodomain inhibitor-8 are designed to evaluate its functional effects on gene expression and cellular processes. A common assay involves treating cells (e.g., cancer cell lines or immune cells) with the compound and measuring the expression of BET-dependent genes, such as c-MYC, by quantitative PCR (qPCR) or the levels of inflammatory cytokines (e.g., TNF-α, IL-6) by ELISA. The compound's effect on cell proliferation can be assessed using assays such as MTT, CellTiter-Glo, or [³H]-thymidine incorporation. Additionally, the impact on cell cycle progression and apoptosis can be analyzed by flow cytometry. These assays provide a comprehensive view of the compound's cellular activity and its mechanism of action.
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| Animal Protocol |
In vivo animal studies for Bromodomain inhibitor-8 are typically conducted in models of autoimmune or inflammatory diseases. For example, in the collagen-induced arthritis (CIA) model of rheumatoid arthritis, mice are immunized with collagen and then treated with the compound. Disease severity is assessed by clinical scoring of joint swelling and histopathological analysis of joint tissues. In models of inflammatory bowel disease, such as dextran sulfate sodium (DSS)-induced colitis, the compound's effect on weight loss, colon length, and inflammatory markers is evaluated. Pharmacodynamic endpoints, including the modulation of cytokine levels and immune cell populations, are also measured to confirm target engagement and pathway modulation.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) properties of Bromodomain inhibitor-8 have been characterized to support its use in preclinical studies. The compound has a molecular weight of 448.94 and is soluble in DMSO at concentrations up to 100 mg/mL. For in vivo administration, it can be formulated in a vehicle of 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline at a concentration of at least 5 mg/mL. The compound is stable as a powder at -20°C for up to three years or in solution at -80°C for up to six months. Detailed PK parameters, such as half-life, clearance, volume of distribution, and oral bioavailability, are not specified in the available sources but would be determined in standard preclinical studies.
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| Toxicity/Toxicokinetics |
The toxicological profile of Bromodomain inhibitor-8 is not extensively documented in publicly available sources. As a BET bromodomain inhibitor, its potential toxicity is likely related to its on-target effects on gene transcription. BET proteins are broadly expressed and regulate numerous genes involved in cell cycle progression, differentiation, and immune function. Chronic inhibition could therefore lead to a range of effects, including myelosuppression, gastrointestinal toxicity, and immunosuppression. In preclinical studies, the compound would be evaluated for general toxicity, genotoxicity, and organ-specific toxicity to establish a safety profile. For laboratory handling, standard safety precautions for research chemicals should be observed, including the use of personal protective equipment (gloves, lab coat, safety goggles) and working in a well-ventilated area. The compound is intended for research use only and is not for human therapeutic or diagnostic use.
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| Additional Infomation |
Bromodomain inhibitor-8 is a research-grade compound with the catalog number V33302 and a purity of ≥98%. It is also known as Intermediate 21. The compound has a molecular formula of C₂₆H₂₅ClN₂O₃ and a molecular weight of 448.94. Its SMILES notation is ClC1C=CC(=CC=1)N[C@H]1C2C=C(C3C=CC(C(=O)OC)=CC=3)C=CC=2N(C(C)=O)[C@@H](C)C1. The compound is supplied as a white to off-white solid powder. It is soluble in DMSO at concentrations up to 100 mg/mL and can be formulated for in vivo administration in a vehicle of 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline. Bromodomain inhibitor-8 is a valuable tool for studying BET bromodomain biology and the therapeutic potential of BET inhibition in autoimmune and inflammatory diseases.
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| Molecular Formula |
C26H25CLN2O3
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|---|---|
| Molecular Weight |
448.941305875778
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| Exact Mass |
448.155
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| CAS # |
1300031-70-2
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| PubChem CID |
68162726
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| Appearance |
White to off-white solid powder
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| LogP |
5.5
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
32
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| Complexity |
658
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| Defined Atom Stereocenter Count |
2
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| SMILES |
C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)OC)NC4=CC=C(C=C4)Cl
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| InChi Key |
UUWRMPUSYYZXJY-UPCLLVRISA-N
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| InChi Code |
InChI=1S/C26H25ClN2O3/c1-16-14-24(28-22-11-9-21(27)10-12-22)23-15-20(8-13-25(23)29(16)17(2)30)18-4-6-19(7-5-18)26(31)32-3/h4-13,15-16,24,28H,14H2,1-3H3/t16-,24+/m0/s1
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| Chemical Name |
methyl 4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoate
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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 : ~100 mg/mL (~222.75 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (11.14 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 50.0 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. Solubility in Formulation 2: ≥ 5 mg/mL (11.14 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 50.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2275 mL | 11.1373 mL | 22.2747 mL | |
| 5 mM | 0.4455 mL | 2.2275 mL | 4.4549 mL | |
| 10 mM | 0.2227 mL | 1.1137 mL | 2.2275 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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