| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
IC50: 90 nM (human BRD4 BD1)[1]
ZL0590 targets BRD4 BD1, the first bromodomain of bromodomain-containing protein 4, a member of the BET (bromodomain and extra-terminal) family of epigenetic readers. BRD4 recognizes acetylated lysine residues on histones and plays a critical role in transcriptional regulation. Inhibition of BRD4 BD1 by ZL0590 disrupts BRD4-mediated gene expression, contributing to its anti-inflammatory and potential anticancer effects. |
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| ln Vitro |
ZL0590 demonstrates potent in vitro inhibition of human BRD4 BD1 with an IC50 of 90 nM. It exhibits significant anti-inflammatory activity. The compound is orally active and selective for BRD4 BD1. These properties make ZL0590 a valuable tool for studying BRD4 function in epigenetic regulation, cancer, and inflammatory diseases.
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| ln Vivo |
In vivo activity of ZL0590 is suggested by its oral bioavailability and significant anti-inflammatory activity. The compound has potential for in vivo efficacy in models of cancer, inflammation, and metabolic diseases. Further in vivo studies are needed to evaluate its pharmacokinetic properties, antitumor efficacy, and anti-inflammatory effects in appropriate animal models.
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| Enzyme Assay |
In vitro enzyme assays for ZL0590 involve measuring its inhibition of BRD4 BD1 binding to acetylated histone peptides. The assay typically uses fluorescence polarization or AlphaScreen technology to measure the displacement of a labeled acetylated peptide from the BRD4 BD1 domain. The IC50 of 90 nM is determined from dose-response curves generated in these assays.
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| Cell Assay |
In vitro cellular assays for ZL0590 involve treating cancer or inflammatory cell lines with varying concentrations of the compound. Inhibition of BRD4 function is assessed by measuring changes in gene expression, cell proliferation, or inflammatory cytokine production. The compound's anti-inflammatory activity is evaluated by measuring cytokine levels in activated immune cells.
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| Animal Protocol |
In vivo animal experiments for ZL0590 would typically involve administering the compound orally to animal models of cancer, inflammation, or metabolic diseases. Efficacy is evaluated by measuring tumor growth inhibition, inflammatory markers, or metabolic parameters. The compound's oral bioavailability makes it suitable for oral dosing studies.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for ZL0590 indicate that it is orally active, suggesting favorable absorption and bioavailability. The compound has a molecular weight of 512.55. Its absorption, distribution, metabolism, and excretion properties are being characterized in ongoing studies. Further pharmacokinetic studies are needed to fully define its profile.
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| Toxicity/Toxicokinetics |
Toxicological data for ZL0590 are limited. As a research compound, comprehensive toxicological studies have not been reported. The compound is intended for research use only and is not for human therapeutic application. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
ZL0590 (CAS#: 2230496-99-6) has the molecular formula C23H27F3N4O4S and a molecular weight of 512.55. The compound is a potent and selective BRD4 BD1 inhibitor with an IC50 of 90 nM. It exhibits significant anti-inflammatory activity and is orally active.
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| Molecular Formula |
C23H27F3N4O4S
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|---|---|
| Molecular Weight |
512.55
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| Exact Mass |
512.17
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| CAS # |
2230496-99-6
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| PubChem CID |
135144027
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| Appearance |
White to off-white solid powder
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| LogP |
2.7
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
35
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| Complexity |
801
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| Defined Atom Stereocenter Count |
1
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| SMILES |
N(C1=CC=C(S(N2CCC[C@H]2CN2CCOCC2)(=O)=O)C=C1)C(NC1=CC=C(C(F)(F)F)C=C1)=O
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| InChi Key |
ZPMULUKHFNMJPF-FQEVSTJZSA-N
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| InChi Code |
InChI=1S/C23H27F3N4O4S/c24-23(25,26)17-3-5-18(6-4-17)27-22(31)28-19-7-9-21(10-8-19)35(32,33)30-11-1-2-20(30)16-29-12-14-34-15-13-29/h3-10,20H,1-2,11-16H2,(H2,27,28,31)/t20-/m0/s1
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| Chemical Name |
1-[4-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]sulfonylphenyl]-3-[4-(trifluoromethyl)phenyl]urea
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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 (195.10 mM)
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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 | 1.9510 mL | 9.7551 mL | 19.5103 mL | |
| 5 mM | 0.3902 mL | 1.9510 mL | 3.9021 mL | |
| 10 mM | 0.1951 mL | 0.9755 mL | 1.9510 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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