| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
SMARCA2[1]
The molecular target of SMARCA-BD ligand 1 for Protac hydrochloride is SMARCA2, also known as BRM, a BAF ATPase subunit. SMARCA2 is a catalytic subunit of the SWI/SNF chromatin remodeling complex, which plays critical roles in gene expression regulation, DNA repair, and cell proliferation. In the context of PROTAC technology, this compound serves as the target protein recognition element, while the linker and E3 ligase ligand components facilitate the recruitment of the ubiquitin-proteasome system for targeted degradation of SMARCA2. |
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| ln Vitro |
In vitro studies demonstrate that SMARCA-BD ligand 1 for Protac hydrochloride functions as a key component in PROTAC molecules targeting SMARCA2 for degradation. The compound provides the target-binding functionality that enables selective recognition of SMARCA2. In vitro assays typically involve incorporation of this ligand into complete PROTAC molecules followed by evaluation of SMARCA2 degradation in cultured cells. The compound is designed to facilitate targeted protein degradation in cellular systems through the ubiquitin-proteasome pathway.
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| ln Vivo |
In vivo activity data for SMARCA-BD ligand 1 for Protac hydrochloride as a standalone compound are not reported, as it is utilized as a synthetic intermediate or ligand building block in PROTAC design rather than as a therapeutic agent itself. The in vivo efficacy of PROTAC molecules incorporating this SMARCA2 ligand would depend on the specific E3 ligase ligand, linker, and the overall pharmacokinetic properties of the complete PROTAC construct.
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| Enzyme Assay |
In vitro assays for evaluating SMARCA-BD ligand 1 for Protac hydrochloride typically involve binding studies to assess its interaction with SMARCA2. Surface plasmon resonance (SPR) or fluorescence polarization techniques can be used to measure the binding affinity (Kd) between the ligand and SMARCA2. Additionally, ternary complex formation assays can be performed to evaluate the ability of PROTAC molecules containing this ligand to simultaneously engage both the E3 ligase and the target protein. Competition binding assays using fluorescently labeled probes are also commonly used to determine the inhibitory concentration (IC50) of the ligand for SMARCA2 binding.
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| Cell Assay |
In vitro cell-based assays for SMARCA-BD ligand 1 for Protac hydrochloride typically involve its incorporation into PROTAC molecules followed by evaluation of SMARCA2 degradation in cultured cells. Cells are treated with PROTACs containing this SMARCA2 ligand, and the levels of SMARCA2 are measured by Western blotting or immunofluorescence to assess degradation efficiency. Dose-response experiments are performed to determine the DC50 (half-maximal degradation concentration) of the PROTAC construct. Additionally, cell viability and proliferation assays may be conducted to evaluate the functional consequences of SMARCA2 degradation.
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| Animal Protocol |
In vivo animal studies using SMARCA-BD ligand 1 for Protac hydrochloride are conducted as part of the evaluation of complete PROTAC molecules that incorporate this SMARCA2 ligand. Typical protocols involve administering PROTAC constructs to mouse xenograft models or disease-relevant animal models, followed by assessment of SMARCA2 degradation in harvested tissues via Western blot or immunohistochemistry. Pharmacodynamic endpoints include measurement of SMARCA2 levels, downstream signaling pathway modulation, and tumor growth inhibition in efficacy studies.
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| ADME/Pharmacokinetics |
As a ligand building block rather than a therapeutic drug, comprehensive pharmacokinetic data for SMARCA-BD ligand 1 for Protac hydrochloride alone are limited. The compound has a molecular formula of C14H18ClN5O and a molecular weight of 307.78. The compound has a purity of ≥95%. When incorporated into PROTAC molecules, the SMARCA2 ligand contributes to the overall physicochemical properties of the complete construct.
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| Toxicity/Toxicokinetics |
The toxicity profile of SMARCA-BD ligand 1 for Protac hydrochloride as an individual compound is not extensively characterized, as it is primarily used as a research reagent and synthetic building block. The compound is intended for research use only and is not approved for therapeutic use in humans. Standard laboratory safety practices, including the use of personal protective equipment and handling in a fume hood, are recommended.
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| References | |
| Additional Infomation |
SMARCA-BD ligand 1 for Protac hydrochloride (CAS 2380272-56-8) has a molecular formula of C14H18ClN5O and a molecular weight of 307.78. It is a compound that binds to the BAF ATPase subunits SMARCA2, and is used for degrading SMARCA2 based on PROTAC technology. The compound has a purity of 99.24%. It is part of the PROTAC ligand category for targeted protein degradation research.
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| Molecular Formula |
C14H18CLN5O
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|---|---|
| Molecular Weight |
307.778621196747
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| Exact Mass |
307.119
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| CAS # |
2380272-56-8
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| Related CAS # |
SMARCA-BD ligand 1 for Protac dihydrochloride;2369053-68-7;SMARCA-BD ligand 1 for Protac;1997319-92-2
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| PubChem CID |
156113172
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
21
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| Complexity |
310
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CN(CCN1)C2=CC(=NN=C2N)C3=CC=CC=C3O.Cl
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| InChi Key |
RBEAPVAFLFWAKZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H17N5O.ClH/c15-14-12(19-7-5-16-6-8-19)9-11(17-18-14)10-3-1-2-4-13(10)20;/h1-4,9,16,20H,5-8H2,(H2,15,18);1H
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| Chemical Name |
2-(6-amino-5-piperazin-1-ylpyridazin-3-yl)phenol;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 :~10 mg/mL (~32.49 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 | 3.2491 mL | 16.2454 mL | 32.4907 mL | |
| 5 mM | 0.6498 mL | 3.2491 mL | 6.4981 mL | |
| 10 mM | 0.3249 mL | 1.6245 mL | 3.2491 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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