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| Targets |
BT173 targets homeodomain-interacting protein kinase 2 (HIPK2). It binds to HIPK2 but does not inhibit its kinase activity. Instead, it allosterically disrupts the interaction between HIPK2 and Smad3, thereby inhibiting the TGF-β1/Smad3 pathway. HIPK2 is a kinase that enhances Smad3 transcriptional activity in renal tubular cells. By disrupting the HIPK2-Smad3 interaction, BT173 inhibits TGF-β1-induced Smad3 phosphorylation and downstream gene expression.
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| ln Vitro |
BT173 demonstrates in vitro activity by binding to HIPK2 and allosterically interfering with its ability to associate with Smad3. This disrupts the TGF-β1/Smad3 signaling pathway, which is involved in fibrosis. Its mechanism is distinct from traditional kinase inhibitors. In vitro, BT173 treatment inhibits TGF-β1-induced Smad3 phosphorylation and the expression of Smad3 target genes in human renal tubular epithelial cells.
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| ln Vivo |
BT173 has been shown to alleviate renal fibrosis in vivo by inhibiting the TGF-β1/Smad3 pathway. By binding to HIPK2 and preventing its interaction with Smad3, it reduces the fibrotic response. The compound's ability to attenuate renal fibrosis is a key measure of its in vivo efficacy.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cell-based) assay for BT173 involves assessing its binding to HIPK2. Surface plasmon resonance or other biophysical methods are used to measure the binding affinity of BT173 to recombinant HIPK2. The compound's ability to disrupt the HIPK2-Smad3 interaction is also assessed in pull-down assays.
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| Cell Assay |
The in vitro cell-based assay for BT173 involves treating cells with the compound and measuring its effects on TGF-β1/Smad3 signaling. Cells are treated with TGF-β1 to activate the pathway, and the effects of BT173 on Smad3 phosphorylation and downstream gene expression are assessed. The compound's ability to reduce fibrotic markers is measured.
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| Animal Protocol |
In vivo animal experiments for BT173 are conducted in models of renal fibrosis. Animals are administered BT173, and the effects on kidney fibrosis, TGF-β1/Smad3 signaling, and renal function are assessed. The compound's ability to attenuate renal fibrosis and preserve renal function is assessed in these models.
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| ADME/Pharmacokinetics |
BT173 has a molecular weight of 382.21 g/mol and a molecular formula of C18H12BrN3O2. It is soluble in DMSO. The purity is typically ≥98%. The compound is typically stored as a powder at -20°C.
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| Toxicity/Toxicokinetics |
As a research compound, its safety profile is evaluated in standard cytotoxicity and acute toxicity assays. The compound is classified for research use only and is not intended for human therapeutic use. Comprehensive toxicological characterization would be required prior to any clinical development. The compound is typically handled with standard laboratory safety precautions.
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| References | |
| Additional Infomation |
BT173 (CAS 2232180-74-2) is a potent HIPK2 inhibitor. It has a molecular weight of 382.21 and a molecular formula of C18H12BrN3O2. It allosterically disrupts the HIPK2-Smad3 interaction and is being studied for renal fibrosis. It is not approved for clinical use and is available only for research purposes.
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| Molecular Formula |
C18H12BRN3O2
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|---|---|
| Molecular Weight |
382.210783004761
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| Exact Mass |
381.011
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| CAS # |
2232180-74-2
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| PubChem CID |
135207342
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| Appearance |
White to light yellow solid powder
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| LogP |
4.4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
419
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC1C=CC(=CC=1)C1=NOC(C2=CN=C3C=C(C=CC3=C2)OC)=N1
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| InChi Key |
IZEKVHBNUXXZFE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H12BrN3O2/c1-23-15-7-4-12-8-13(10-20-16(12)9-15)18-21-17(22-24-18)11-2-5-14(19)6-3-11/h2-10H,1H3
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| Chemical Name |
3-(4-bromophenyl)-5-(7-methoxyquinolin-3-yl)-1,2,4-oxadiazole
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 2.6164 mL | 13.0818 mL | 26.1636 mL | |
| 5 mM | 0.5233 mL | 2.6164 mL | 5.2327 mL | |
| 10 mM | 0.2616 mL | 1.3082 mL | 2.6164 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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