| 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 |
BRD7, BRD9[1]
The primary molecular target of BRD7-IN-1, when incorporated into the PROTAC VZ185, is the bromodomain-containing proteins BRD7 and BRD9. VZ185, formed from BRD7-IN-1, selectively binds to and degrades these targets. The resulting PROTAC VZ185 demonstrates highly potent and selective degradation activity against BRD7 and BRD9 with DC50 values of 4.5 nM and 1.8 nM, respectively. |
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| ln Vitro |
In vitro, the activity of BRD7-IN-1 is realized through its conversion to the PROTAC VZ185. VZ185 is a selective BRD7/9 degrader. By binding to a VHL ligand, it recruits an E3 ubiquitin ligase to BRD7 and BRD9, leading to their ubiquitination and proteasomal degradation. This inhibition disrupts the role of BRD7 and BRD9 in chromatin remodeling and transcriptional regulation, thereby affecting gene expression and cell proliferation.
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| ln Vivo |
Specific in vivo efficacy data for BRD7-IN-1 itself is not available, as it is an intermediate that is transformed into VZ185. VZ185 has been developed as a chemical probe for in vivo studies to investigate the functions of BRD7 and BRD9. It is designed to be used in animal models to evaluate the effects of BRD7/9 degradation on tumor growth and other biological processes.
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| Enzyme Assay |
As BRD7-IN-1 is an intermediate, it is not used in cell-free binding assays. The PROTAC VZ185, which is synthesized from BRD7-IN-1, can be evaluated in a biochemical binding assay to determine its affinity for BRD7 and BRD9, typically using time-resolved fluorescence resonance energy transfer (TR-FRET). The ability of BRD7-IN-1 to bind to a VHL ligand is confirmed by standard chemical analysis methods such as NMR and mass spectrometry.
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| Cell Assay |
BRD7-IN-1 is not a drug and is not administered directly to cells. Instead, it is used as a chemical building block in organic synthesis. A typical protocol involves reacting BRD7-IN-1 with a VHL ligand in the presence of a coupling agent (e.g., HATU or EDCI) to form the final PROTAC molecule VZ185. This synthesis is followed by purification via preparative HPLC.
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| Animal Protocol |
Since BRD7-IN-1 is a chemical intermediate, it has no direct in vivo animal study protocols. However, the final PROTAC VZ185 is suitable for in vivo evaluation. In a typical study, VZ185 would be formulated in a vehicle such as 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline and administered via intraperitoneal (IP) injection to tumor-bearing mice for efficacy evaluation.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for BRD7-IN-1 is not relevant, as it is not a therapeutic entity but a precursor. Its physical and chemical properties, such as molecular weight (473.55) and solubility, are defined for use in organic synthesis, not for biological drug development. It is typically stored at -20degC for long-term stability.
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| Toxicity/Toxicokinetics |
No toxicology data is available for BRD7-IN-1 itself. As a chemical intermediate, it is handled in a laboratory setting using standard safety protocols (personal protective equipment, fume hood). The toxicity of the final PROTAC VZ185 would be assessed in appropriate preclinical studies. There is no evidence of this compound being used in clinical settings.
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| References | |
| Additional Infomation |
BRD7-IN-1's primary importance lies in its role as the essential building block for creating the selective BRD7/9 degrader VZ185. BRD7 and BRD9 are subunits of SWI/SNF chromatin remodeling complexes, which are frequently dysregulated in cancer. VZ185, derived from this compound, has been validated as a first-in-class chemical probe for studying the effects of degrading these proteins. BRD7-IN-1 is not a drug itself and remains in the preclinical research phase.
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| Molecular Formula |
C22H28CL2N4O3
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|---|---|
| Molecular Weight |
467.3887
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| Exact Mass |
466.153
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| CAS # |
2448414-48-8
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| PubChem CID |
138377578
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| Appearance |
Off-white to yellow solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
31
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| Complexity |
593
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| Defined Atom Stereocenter Count |
0
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| SMILES |
Cl[H].Cl[H].O(C([H])([H])[H])C1C([H])=C(C2=C([H])N(C([H])([H])[H])C(C3C([H])=NC([H])=C([H])C2=3)=O)C([H])=C(C=1C([H])([H])N1C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])OC([H])([H])[H]
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| InChi Key |
VUBFYDKFJHVJDQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H26N4O3.2ClH/c1-25-13-18(16-4-5-24-12-17(16)22(25)27)15-10-20(28-2)19(21(11-15)29-3)14-26-8-6-23-7-9-26;;/h4-5,10-13,23H,6-9,14H2,1-3H3;2*1H
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| Chemical Name |
4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;dihydrochloride
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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) |
H2O: 100 mg/mL (213.95 mM)
DMSO: 30 mg/mL (64.19 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (6.42 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 30.0 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: ≥ 3 mg/mL (6.42 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 30.0 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. View More
Solubility in Formulation 3: 100 mg/mL (213.95 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1395 mL | 10.6977 mL | 21.3954 mL | |
| 5 mM | 0.4279 mL | 2.1395 mL | 4.2791 mL | |
| 10 mM | 0.2140 mL | 1.0698 mL | 2.1395 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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