| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
BRD9 (bromodomain-containing protein 9).
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|---|---|
| ln Vitro |
PROTAC BRD9-binding moiety 1 hydrochloride itself does not induce degradation; it is a ligand that selectively binds to BRD9. When conjugated to an E3 ubiquitin ligase ligand (e.g., a cereblon or VHL ligand) via an appropriate linker, the resulting PROTAC can recruit an E3 ubiquitin ligase to BRD9, leading to its ubiquitination and subsequent proteasomal degradation. The binding of this ligand to BRD9 facilitates targeted degradation of the BRD9 protein, providing a tool for studying its biological function and validating it as a therapeutic target. The potency of BRD9 degradation (DC50) depends on the complete PROTAC construct incorporating this binding moiety.
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| ln Vivo |
No specific in vivo activity has been reported for this binding moiety alone; its in vivo degradation activity is observed only when incorporated into a complete BRD9-targeting PROTAC molecule. The in vivo efficacy of such a PROTAC would be evaluated in animal models of BRD9-driven cancers (e.g., synovial sarcoma or AML xenografts).
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| Enzyme Assay |
N/A; this compound is not assessed in isolated enzyme/receptor binding assays as a standalone agent. Its binding affinity to BRD9 is typically determined using biochemical assays such as fluorescence polarization (FP), AlphaScreen, or surface plasmon resonance (SPR) as part of the validation of the complete PROTAC construct. The purity of the compound is typically confirmed by HPLC, with a standard purity of ≥98%.
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| Cell Assay |
N/A; this binding moiety is not tested alone in cell-based assays but is used as a building block for constructing BRD9-targeting PROTACs. In a typical cellular assay for a complete BRD9 PROTAC, BRD9-expressing cancer cells (e.g., synovial sarcoma or AML cell lines) are treated with the PROTAC molecule for 4-24 hours, after which BRD9 protein levels are measured by Western blotting or quantitative proteomics to determine the DC50 (half-maximal degradation concentration). The selectivity of degradation can be assessed by measuring other bromodomain-containing proteins.
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| Animal Protocol |
N/A; no animal studies are performed with the binding moiety alone. In vivo efficacy studies for a complete BRD9 PROTAC would typically be conducted in mouse xenograft models of BRD9-driven cancers. The PROTAC would be formulated in a suitable vehicle (e.g., 10% DMSO, 40% PEG300, 5% Tween-80, 45% saline) and administered via intraperitoneal (IP) or intravenous (IV) injection. Tumor growth inhibition, BRD9 degradation in tumor tissue, and overall animal health would be monitored.
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| ADME/Pharmacokinetics |
This compound has a molecular weight of approximately 556.05, a molecular formula of C23H26ClN3O7S2, and a standard purity of ≥98%. It appears as a light yellow to yellow solid powder. For storage, it should be kept as a powder at -20degC for up to 3 years or in a solvent at -80degC for 6 months. It is soluble in DMSO. The product should be stored in a sealed container, protected from light. Information concerning product stability, particularly in solution, has rarely been reported and in most cases only a general guide can be offered.
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| Toxicity/Toxicokinetics |
This product is for research use only and is not for human or veterinary use. Standard chemical safety precautions should be followed during handling. The product has not been fully validated for medical applications. It is not an approved therapeutic drug and has not been cleared for clinical use. PROTAC is a registered trademark of Arvinas Operations, Inc., and is used under license.
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| References | |
| Additional Infomation |
BRD9 is a bromodomain-containing protein that is a component of the non-canonical BAF (ncBAF) chromatin remodeling complex, which plays a critical role in gene regulation. BRD9 is an emerging therapeutic target in synovial sarcoma (where it is frequently overexpressed), acute myeloid leukemia (AML), and other cancers. This binding moiety enables the development of BRD9-targeting PROTAC degraders, which offer a novel strategy for treating BRD9-driven cancers by degrading the protein rather than merely inhibiting its bromodomain function. The hydrochloride salt form improves solubility for PROTAC synthesis and downstream applications.
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| Molecular Formula |
C23H26CLN3O7S2
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|---|---|
| Molecular Weight |
556.051442623138
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| Exact Mass |
555.09
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| CAS # |
2448414-41-1
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| Related CAS # |
PROTAC BRD9-binding moiety 1;2097512-23-5
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| PubChem CID |
137333441
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| Appearance |
Light yellow to yellow solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
36
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| Complexity |
980
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=C(C=C4)OCC(=O)O)OC.Cl
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| InChi Key |
CHHQBFXRODFSBF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H25N3O7S2.ClH/c1-26-11-16(13-3-4-17(18(9-13)32-2)33-12-20(27)28)21-15(23(26)29)10-19(34-21)22(24)25-14-5-7-35(30,31)8-6-14;/h3-4,9-11,14H,5-8,12H2,1-2H3,(H2,24,25)(H,27,28);1H
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| Chemical Name |
2-[4-[2-[N'-(1,1-dioxothian-4-yl)carbamimidoyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-methoxyphenoxy]acetic acid;hydrochloride
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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 Note: Please store this product in a sealed and protected environment, 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)
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| Solubility (In Vitro) |
DMSO :~20.83 mg/mL (~37.46 mM)
H2O :~2.5 mg/mL (~4.50 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.74 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 (3.74 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 (3.74 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 | 1.7984 mL | 8.9920 mL | 17.9840 mL | |
| 5 mM | 0.3597 mL | 1.7984 mL | 3.5968 mL | |
| 10 mM | 0.1798 mL | 0.8992 mL | 1.7984 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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