| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
CARD9 (caspase recruitment domain-containing protein 9). BRD5529 directly and selectively binds CARD9 and disrupts the CARD9-TRIM62 protein-protein interaction.
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| ln Vitro |
BRD5529 exhibits strong CARD9-TRIM62 inhibitory activity that is dose-dependent, with an IC50 of 8.6 μM[1]. In vitro, BRD5529 binds CARD9 directly and disrupts its ubiquitination, while TRIM62 is not bound by it [1]. In vitro, TRIM62-mediated CARD9 ubiquitination is dose-dependently inhibited by BRD5529 (40 μM) [1]. Innate immune cells' CARD9-dependent signaling is inhibited by BRD5529 (200 μM, 0–50 minutes; 200 μM, 2-4 hours) [1].
In vitro, BRD5529 exhibits strong, dose-dependent CARD9-TRIM62 inhibitory activity with an IC₅₀ of 8.6 μM. It binds directly to CARD9 and inhibits its ubiquitination, while TRIM62 itself is not bound by the compound. The compound shows complete inhibition of CARD9 ubiquitinylation in vitro and has favorable solubility. |
| ln Vivo |
The initial general safety and toxicological investigation of BRD5529 (ip; 0.1 or 1.0 mg/kg; daily for 2 weeks) revealed no inherent safety issues [2].
In vivo activity of BRD5529 has not been extensively characterized. As a research tool for CARD9-TRIM62 pathway modulation, it is expected to be evaluated in animal models of inflammatory diseases where CARD9 signaling plays a role. Further pharmacokinetic and pharmacodynamic studies are required to establish in vivo efficacy. |
| Enzyme Assay |
Non-cell binding assays are performed using purified recombinant CARD9 and TRIM62 proteins. Surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) are employed to measure the direct binding affinity between BRD5529 and CARD9. Protein-protein interaction inhibition is assessed using AlphaScreen or ELISA-based assays where biotinylated CARD9 and His-tagged TRIM62 are incubated with varying concentrations of BRD5529 (0.001-100 μM). The IC₅₀ is determined by fitting dose-response curves.
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| Cell Assay |
Western Blot analysis [1]
Cell Types: HEK293F Cell Tested Concentrations: 40 μM Incubation Duration: Experimental Results: Inhibition of CARD9 ubiquitination reaction in vitro. Cell-based assays are performed in HEK-293T or macrophage cell lines transfected with CARD9 and TRIM62 expression constructs. Cells are treated with BRD5529 at concentrations ranging from 0.1-50 μM for 4-24 hours. CARD9 ubiquitination is assessed by immunoprecipitation followed by Western blotting with anti-ubiquitin antibodies. NF-κB activation is measured using luciferase reporter assays. Cytokine secretion (e.g., IL-6, TNF-α) is quantified by ELISA. |
| Animal Protocol |
Animal/Disease Models: Pneumocystis pneumonia (PCP) model [2]
Doses: 0.1 or 1.0 mg/kg Route of Administration: intraperitonealdaily for 2 weeks Experimental Results: No significant changes in daily or final body weight gain, Proinflammatory cytokines demonstrated no significant differences in changes. Pathological scores demonstrated no obvious changes in the lungs, liver, and kidneys. In vivo studies would typically involve mouse models of inflammatory disease (e.g., DSS-induced colitis or LPS-induced endotoxemia). BRD5529 would be administered via intraperitoneal or oral routes at doses based on pharmacokinetic data. Disease severity, inflammatory cytokine levels, and tissue histopathology would be assessed. However, detailed published in vivo protocols for this specific compound are currently limited. |
| ADME/Pharmacokinetics |
Published pharmacokinetic data for BRD5529 are limited. The compound shows favorable solubility, which may support reasonable oral bioavailability. Further studies are needed to determine plasma half-life, clearance, volume of distribution, and metabolic stability in preclinical species. As a small molecule inhibitor, it is expected to have moderate protein binding.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for BRD5529 are not yet available in the public domain. Standard safety pharmacology and toxicology studies would be required for therapeutic development. No genotoxicity, cardiotoxicity, or organ-specific toxicity has been reported. Preliminary studies suggest the compound is well-tolerated at effective concentrations in vitro.
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| References | |
| Additional Infomation |
BRD5529 is a research compound developed for studying the CARD9-TRIM62 interaction and its role in innate immune signaling. CARD9 is a key adaptor protein in the NF-κB pathway downstream of C-type lectin receptors. BRD5529 serves as a valuable tool for investigating the molecular mechanisms of CARD9-mediated inflammatory responses and may have potential therapeutic applications in inflammatory diseases. Currently, it is not approved for clinical use.
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| Molecular Formula |
C25H31N5O4
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|---|---|
| Molecular Weight |
465.54474568367
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| Exact Mass |
465.237
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| CAS # |
1358488-78-4
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| PubChem CID |
83288403
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
-0.1
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
34
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| Complexity |
740
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C1(CCN(C2C(C(=O)O)=CC(=CN=2)NC(C2C=CC(C)=CC=2)=O)CC1)N1CCCCC1)N
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| InChi Key |
ZXWHESBABUHJBE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H31N5O4/c1-17-5-7-18(8-6-17)22(31)28-19-15-20(23(32)33)21(27-16-19)29-13-9-25(10-14-29,24(26)34)30-11-3-2-4-12-30/h5-8,15-16H,2-4,9-14H2,1H3,(H2,26,34)(H,28,31)(H,32,33)
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| Chemical Name |
2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid
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| Synonyms |
BRD-5529; BRD 5529; BRD5529
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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 : ~125 mg/mL (~268.51 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.47 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 20.8 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: ≥ 2.08 mg/mL (4.47 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 20.8 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: ≥ 2.08 mg/mL (4.47 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 20 mg/mL (42.96 mM) in 0.5% CMC-Na/saline water (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1480 mL | 10.7402 mL | 21.4804 mL | |
| 5 mM | 0.4296 mL | 2.1480 mL | 4.2961 mL | |
| 10 mM | 0.2148 mL | 1.0740 mL | 2.1480 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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