| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg |
|
||
| 10mg | |||
| Other Sizes |
| Targets |
Biotinylated-JQ1 targets the bromodomains of BET proteins, particularly BRD4, which is a key epigenetic reader that recognizes acetylated lysine residues on histones. By binding to the BRD4 bromodomain with high affinity, the compound displaces BRD4 from chromatin, thereby inhibiting the transcription of genes regulated by BRD4, including the oncogene MYC. The biotin tag does not interfere with binding and allows for the detection and purification of BRD4 and associated proteins. The compound's primary target is the BRD4 bromodomain, making it valuable for studying BET protein function.
|
|---|---|
| ln Vitro |
Biotinylated-JQ1 (0.1 nM-100 μM; 72 hours) suppresses the growth of MM1.S cells at an EC50 of 0.4 μM [1].
In vitro studies demonstrate that Biotinylated-JQ1 is a potent inhibitor of BRD4 with high binding affinity. The compound suppresses the proliferation of MM1.S multiple myeloma cells with an EC₅0 of 0.4 microM. Its in vitro activity is assessed using BRD4 binding assays (e.g., AlphaScreen, TR-FRET), cell proliferation assays, and gene expression analysis. The biotin tag allows for pull-down experiments to identify BRD4-interacting proteins and to study BRD4 occupancy on chromatin. The compound's effects on gene expression are assessed by RNA-seq or qPCR, particularly for MYC and other BRD4 target genes. |
| ln Vivo |
In vivo activity of Biotinylated-JQ1 has not been extensively characterized, as the compound is primarily used as a chemical probe for in vitro and ex vivo applications. The compound's in vivo utility would be limited by the potential immunogenicity of the biotin tag and rapid clearance. However, the parent compound JQ1 has demonstrated in vivo efficacy in mouse models of cancer, including multiple myeloma. Biotinylated-JQ1 may be used in vivo for target engagement studies or to study BRD4 biology in animal models, though such applications are less common.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for Biotinylated-JQ1 involve measuring its binding affinity to BRD4 bromodomains. The assay typically uses recombinant BRD4 bromodomain proteins and a labeled probe in a competition binding format. AlphaScreen, TR-FRET, or fluorescence polarization assays are commonly used. The compound is incubated with the BRD4 protein and a fluorescently labeled JQ1 probe, and the displacement of the probe is measured. EC₅0 values are calculated from dose-response curves. The biotin tag allows for streptavidin-based capture in pull-down assays to assess binding to full-length BRD4 or to identify BRD4-interacting proteins.
|
| Cell Assay |
Cellular assays for Biotinylated-JQ1 are conducted using cancer cell lines, particularly MM1.S multiple myeloma cells, to evaluate its anti-proliferative effects. Cells are treated with varying concentrations of the compound (typically 0.1 nM to 100 microM) for 72 hours. Cell viability is assessed using CellTiter-Glo or MTT assays. EC₅0 values are calculated from dose-response curves. The compound's effects on BRD4 target gene expression (e.g., MYC) are assessed by qPCR or Western blotting. Pull-down assays using streptavidin beads are performed to capture BRD4 and associated proteins from cell lysates, followed by Western blotting or mass spectrometry for identification.
|
| Animal Protocol |
In vivo animal studies with Biotinylated-JQ1 are limited, as the compound is primarily used as a research tool for in vitro applications. For in vivo studies, the parent compound JQ1 or other BET inhibitors are typically used. Biotinylated-JQ1 may be administered to mice for target engagement studies, where compound binding to BRD4 in tissues is assessed by Western blotting following streptavidin pull-down. However, detailed in vivo study protocols are not extensively reported in the literature. The compound's in vivo utility is limited by its biotin tag, which may affect pharmacokinetics and biodistribution.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Biotinylated-JQ1 have not been extensively characterized, as the compound is primarily used as a research tool. The compound's molecular weight is approximately 837 Da. The biotin tag adds significant molecular weight and may affect the compound's pharmacokinetic properties compared to JQ1. The compound is typically stored at -20degC. Detailed PK parameters such as half-life, bioavailability, and volume of distribution are not reported. The compound's solubility and stability in various solvents have been characterized for research applications.
|
| Toxicity/Toxicokinetics |
Toxicological data for Biotinylated-JQ1 are limited, as the compound is primarily used as a research tool rather than a therapeutic agent. The compound is not intended for human therapeutic use and is supplied for research purposes only. In cell-based assays, the compound inhibits cell proliferation at nanomolar to micromolar concentrations, indicating potent biological activity. The compound's toxicity profile is expected to be similar to that of JQ1, which has been shown to be well-tolerated in animal studies at therapeutic doses. Standard safety precautions should be followed when handling this compound.
|
| References | |
| Additional Infomation |
Biotinylated-JQ1 is a biotinylated derivative of JQ1 that binds specifically to BRD2/3/4 bromodomains and is used as a chemical probe in epigenetic research. It suppresses the proliferation of MM1.S multiple myeloma cells with an EC₅0 of 0.4 microM. The biotin tag allows for pull-down assays and other affinity-based applications. The compound is not an FDA-approved drug and has no clinical indications. It is available in high purity (≥99.3%) and is typically stored at -20degC.
|
| Molecular Formula |
C39H53CLN8O6S2
|
|---|---|
| Molecular Weight |
829.47
|
| Exact Mass |
828.321
|
| CAS # |
1635437-52-3
|
| PubChem CID |
162679326
|
| Appearance |
Light yellow to yellow solid powder
|
| LogP |
3.4
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
22
|
| Heavy Atom Count |
56
|
| Complexity |
1320
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
N12C(C)=NN=C1[C@H](CC(NCCCOCCOCCOCCCNC(=O)CCCC[C@H]1[C@@]3([H])NC(=O)N[C@@]3([H])CS1)=O)N=C(C1=CC=C(Cl)C=C1)C1C(C)=C(C)SC=12
|
| InChi Key |
HLZRRKIVMLXYEU-MSMWPWNWSA-N
|
| InChi Code |
InChI=1S/C39H53ClN8O6S2/c1-24-25(2)56-38-34(24)35(27-10-12-28(40)13-11-27)43-29(37-47-46-26(3)48(37)38)22-33(50)42-15-7-17-53-19-21-54-20-18-52-16-6-14-41-32(49)9-5-4-8-31-36-30(23-55-31)44-39(51)45-36/h10-13,29-31,36H,4-9,14-23H2,1-3H3,(H,41,49)(H,42,50)(H2,44,45,51)/t29-,30-,31-,36-/m0/s1
|
| Chemical Name |
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-[2-[2-[3-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]propoxy]ethoxy]ethoxy]propyl]pentanamide
|
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 : 180 mg/mL (217.01 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 4.5 mg/mL (5.43 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 45.0 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: ≥ 4.5 mg/mL (5.43 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 45.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 4.5 mg/mL (5.43 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.2056 mL | 6.0279 mL | 12.0559 mL | |
| 5 mM | 0.2411 mL | 1.2056 mL | 2.4112 mL | |
| 10 mM | 0.1206 mL | 0.6028 mL | 1.2056 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
