| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
BRD4
BET family bromodomains (BRD2, BRD3, BRD4). The parent compound JQ1 is a high‑affinity BET inhibitor. |
|---|---|
| ln Vitro |
JQ1-TCO (10 μM; 18 h) does not induce significant degradation of BRD4 in HeLa cells [1].
This entry is not available. The activity of (Z)‑JQ1‑TCO is mediated through the JQ1 moiety, which retains BET bromodomain binding affinity. As a general principle for JQ1 derivatives, they bind to BRD4 with low nanomolar affinity. The presence of the TCO handle allows the compound to undergo rapid and specific inverse electron‑demand Diels‑Alder (IEDDA) cycloaddition with tetrazine‑tagged molecules for imaging or delivery applications. |
| ln Vivo |
This entry is not available.
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| Enzyme Assay |
General cell‑free protocol for assessing BET binding of (Z)‑JQ1‑TCO: Use a TR‑FRET (LANCE Ultra) assay. Recombinant BRD4(BD1) protein (1‑5 nM) is incubated with a biotinylated acetylated histone H4 peptide (50‑100 nM) in assay buffer (50 mM HEPES, pH 7.5, 150 mM NaCl, 0.01% Tween‑20, 1 mM DTT). Add varying concentrations of (Z)‑JQ1‑TCO (0.1 nM to 10 uM). Add Eu‑labeled anti‑GST antibody (1 nM) and streptavidin‑XL665 (20 nM). After 1 hour at room temperature, measure FRET signal at 665 nm (donor) and 620 nm (acceptor). Calculate IC₅0 from the competition curve.
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| Cell Assay |
General cellular protocol for (Z)‑JQ1‑TCO click chemistry applications: Seed cells (e.g., HeLa or MV4‑11) in 6‑well plates. Treat cells with (Z)‑JQ1‑TCO at 0.1‑10 uM for 2‑4 hours to allow BET binding. Remove unbound compound by washing. Add tetrazine‑labeled fluorophore (e.g., tetrazine‑Cy5) at 10‑50 uM for 10‑30 minutes at 37degC. The IEDDA reaction between TCO and tetrazine results in covalent conjugation. Analyze labeled proteins by SDS‑PAGE and in‑gel fluorescence scanning, or visualize live cell labeling by confocal microscopy.
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| Animal Protocol |
General animal protocol for (Z)‑JQ1‑TCO in vivo click chemistry: Administer (Z)‑JQ1‑TCO to mice via intravenous or intraperitoneal injection at a dose of 10‑50 mg/kg. Allow the compound to distribute and bind to BET proteins in tissues (1‑4 hours). Subsequently, inject a tetrazine‑labeled imaging agent (e.g., tetrazine‑IRDye 800CW) intravenously. After 30‑60 minutes, perform whole‑body fluorescence imaging to visualize BET protein distribution. For targeted delivery, pre‑label therapeutic nanoparticles with tetrazine, then inject (Z)‑JQ1‑TCO to direct nanoparticle accumulation at sites of BET protein expression.
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| References | |
| Additional Infomation |
(Z)‑JQ1‑TCO has a molecular formula of C31H3₇ClN₆O3S and a molecular weight of 609.18. It is stored as a powder at ‑20degC. The TCO group enables bioorthogonal click chemistry, allowing researchers to conjugate the BET inhibitor to various probes without interfering with cellular processes. This makes (Z)‑JQ1‑TCO a valuable molecular tool for studying BET protein dynamics, target engagement, and drug delivery in live cells and animals.
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| Molecular Formula |
C31H37CLN6O3S
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|---|---|
| Molecular Weight |
609.18
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| Exact Mass |
608.234
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| PubChem CID |
153429422
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| Appearance |
Solid powder
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| Hydrogen Bond Donor Count |
2
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
42
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| Complexity |
992
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCNC(=O)OC4CCC/C=C\\CC4)C5=CC=C(C=C5)Cl)C
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| InChi Key |
CYIPOINYTLBSLB-SBSQNJSVSA-N
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| InChi Code |
InChI=1S/C31H37ClN6O3S/c1-19-20(2)42-30-27(19)28(22-12-14-23(32)15-13-22)35-25(29-37-36-21(3)38(29)30)18-26(39)33-16-9-17-34-31(40)41-24-10-7-5-4-6-8-11-24/h4-5,12-15,24-25H,6-11,16-18H2,1-3H3,(H,33,39)(H,34,40)/b5-4-/t24?,25-/m0/s1
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| Chemical Name |
[(4Z)-cyclooct-4-en-1-yl] N-[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]propyl]carbamate
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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 (164.16 mM; with sonication and heat)
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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 | 1.6416 mL | 8.2078 mL | 16.4155 mL | |
| 5 mM | 0.3283 mL | 1.6416 mL | 3.2831 mL | |
| 10 mM | 0.1642 mL | 0.8208 mL | 1.6416 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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