| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
IC50: 0.13 nM (BRD9)
PROTAC BRD9 Degrader-6 targets BRD9, a member of the bromodomain and extra-terminal (BET) protein family that is involved in chromatin remodeling and transcriptional regulation. As a PROTAC, the compound recruits an E3 ubiquitin ligase to BRD9, leading to its ubiquitination and subsequent degradation by the proteasome. BRD9 is a component of the BAF (SWI/SNF) chromatin remodeling complex. |
|---|---|
| ln Vitro |
PROTAC BRD9 Degrader-6 demonstrates potent in vitro BRD9 degradation with an IC50 of 0.13 nM. The compound's activity is typically assessed in cell-based degradation assays measuring the reduction of BRD9 protein levels by Western blotting or quantitative mass spectrometry. Its potent activity makes it a valuable tool for studying BRD9 function and BAF complex-related diseases.
|
| ln Vivo |
In vivo activity of PROTAC BRD9 Degrader-6 has been suggested by its potent in vitro BRD9 degradation activity. The compound may be utilized in the study of BAF complex-related diseases. Further in vivo studies in animal models are needed to evaluate its pharmacokinetic properties, efficacy, and safety profile.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for PROTAC BRD9 Degrader-6 are not typically performed, as the compound functions through targeted protein degradation rather than enzyme inhibition. Its activity is assessed by measuring BRD9 protein degradation in cell-based assays using Western blotting or quantitative mass spectrometry. IC50 values are determined from dose-response curves.
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| Cell Assay |
In vitro cellular assays for PROTAC BRD9 Degrader-6 involve treating cells with varying concentrations of the compound and measuring BRD9 protein levels by Western blotting. The compound's ability to induce BRD9 degradation is quantified, and IC50 values are determined. The effects on BAF complex function and downstream gene expression can be assessed by RNA sequencing or qPCR.
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| Animal Protocol |
In vivo animal experiments for PROTAC BRD9 Degrader-6 are not extensively documented. If used in animal models of BAF complex-related diseases, typical protocols would involve administering the compound to disease models and evaluating efficacy by measuring BRD9 degradation, disease progression, and biomarker changes.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for PROTAC BRD9 Degrader-6 are limited. The compound has a molecular formula of C47H56N8O6 and a molecular weight of 829.00. Its absorption, distribution, metabolism, and excretion properties have not been fully characterized. Information concerning product stability, particularly in solution, has rarely been reported.
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| Toxicity/Toxicokinetics |
Toxicological data for PROTAC BRD9 Degrader-6 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 |
[1]. Ruppel Sabine K, et al. Preparation of substituted naphthyridines for treating BAF complex-related disorders. United States, US20210230190 A1. 2021-07-29.
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| Additional Infomation |
PROTAC BRD9 Degrader-6 (CAS#: 2676211-62-2) has the molecular formula C47H56N8O6 and a molecular weight of 829.00. It is a highly potent PROTAC that selectively induces BRD9 degradation with an IC50 of 0.13 nM. The compound may be utilized in the study of BAF complex-related diseases. It is for research use only.
|
| Molecular Formula |
C47H56N8O6
|
|---|---|
| Molecular Weight |
828.997550964355
|
| Exact Mass |
828.432
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| CAS # |
2676211-62-2
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| PubChem CID |
156817976
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| Appearance |
White to off-white solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
10
|
| Heavy Atom Count |
61
|
| Complexity |
1670
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1C2=C(CN1C1C(NC(CC1)=O)=O)C=CC(=C2)N1CC2(CCN(CC3CCN(CC4C(=CC(C5=CN(C)C(C6C=NC(=CC5=6)N5CCC5)=O)=CC=4OC)OC)CC3)CC2)C1
|
| InChi Key |
OBNRBCUHEAAFPS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C47H56N8O6/c1-50-26-37(35-22-42(53-13-4-14-53)48-23-36(35)45(50)58)32-19-40(60-2)38(41(20-32)61-3)27-51-15-9-30(10-16-51)24-52-17-11-47(12-18-52)28-54(29-47)33-6-5-31-25-55(46(59)34(31)21-33)39-7-8-43(56)49-44(39)57/h5-6,19-23,26,30,39H,4,7-18,24-25,27-29H2,1-3H3,(H,49,56,57)
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| Chemical Name |
3-[5-[7-[[1-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
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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)
|
| Solubility (In Vitro) |
DMSO : 100 mg/mL (120.63 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.02 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (3.02 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 25.0 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 | 1.2063 mL | 6.0314 mL | 12.0627 mL | |
| 5 mM | 0.2413 mL | 1.2063 mL | 2.4125 mL | |
| 10 mM | 0.1206 mL | 0.6031 mL | 1.2063 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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