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| 5mg |
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| Targets |
T16A(inh)-C01 targets TMEM16A (ANO1), a calcium-activated chloride channel that is overexpressed in various cancers and is involved in cell proliferation, migration, and invasion. By inhibiting TMEM16A, the compound blocks chloride conductance and may reduce tumor growth and metastasis. It also inhibits TGF-β receptor activity, which is involved in fibrosis.
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| ln Vitro |
T16A(inh)-C01 blocks chloride channel-mediated currents mediated by TMEM16A with an IC50 of 8.4 μM. It does not interfere with calcium signaling, indicating selectivity for the channel rather than upstream calcium pathways. The compound inhibits TGF-β receptor activity, aiming to reduce excessive fibrosis and inflammation.
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| ln Vivo |
Specific in vivo efficacy data for T16A(inh)-C01 are not extensively detailed in standard reference sources. As a TMEM16A inhibitor, it is expected to show activity in animal models of cancer, fibrosis, and autoimmune diseases. By inhibiting TGF-β receptor activity, it aims to reduce excessive fibrosis and inflammation.
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| Enzyme Assay |
T16A(inh)-C01's inhibition of TMEM16A can be assessed using electrophysiological techniques such as whole-cell patch clamp in cells expressing recombinant TMEM16A. Cells are voltage-clamped, and chloride currents are elicited by voltage steps or calcium activation. Increasing concentrations of T16A(inh)-C01 are applied, and the inhibition of chloride current is measured to determine the IC50. Alternatively, fluorescent-based membrane potential assays using iodide-sensitive fluorescent dyes can be used for high-throughput screening.
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| Cell Assay |
The cellular activity of T16A(inh)-C01 is evaluated in cells expressing TMEM16A, such as cancer cell lines. Cells are treated with increasing concentrations of the compound, and TMEM16A-mediated chloride conductance is measured using fluorescent membrane potential dyes or patch clamp. Cell proliferation, migration, and invasion assays are performed to assess the functional consequences of TMEM16A inhibition. The effect on TGF-β signaling is assessed by measuring Smad2/3 phosphorylation.
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| Animal Protocol |
Specific in vivo animal experimental protocols for T16A(inh)-C01 are not extensively detailed in standard reference sources. For evaluating its anti-fibrotic activity, animal models such as bleomycin-induced pulmonary fibrosis or carbon tetrachloride-induced liver fibrosis in mice could be used. T16A(inh)-C01 would be administered via oral or intraperitoneal routes, and fibrosis markers (e.g., collagen deposition, hydroxyproline content) and inflammatory cytokines would be measured.
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| ADME/Pharmacokinetics |
T16A(inh)-C01 has a molecular weight of 312.32 and molecular formula C18H16O5. Its SMILES string is CCOC(=O)C1=C(COC2=CC=CC=C2)OC2=CC=C(O)C=C12. Specific pharmacokinetic parameters such as half-life, bioavailability, and plasma protein binding are not extensively detailed in standard reference sources.
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| Toxicity/Toxicokinetics |
The toxicity profile of T16A(inh)-C01 is not extensively documented. Specific LD50 values and organ-specific toxicity data are not readily available. As a TMEM16A inhibitor, potential toxicities may include effects on epithelial fluid secretion and smooth muscle function, as TMEM16A is expressed in these tissues.
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| References | |
| Additional Infomation |
5-Hydroxy-2-(phenoxymethyl)-3-benzofuran carboxylic acid ethyl ester is a member of the benzofuran class of compounds.
T16A(inh)-C01 (CAS# 171506-87-9) is an inhibitor of TMEM16A (ANO1) that blocks chloride channel-mediated currents with an IC50 of 8.4 μM without interfering with calcium signaling. It has potential for treating fibrotic diseases, autoimmune conditions, and certain cancers by inhibiting TGF-β receptor activity. The compound is a research tool for studying calcium-activated chloride channels and their role in disease. |
| Molecular Formula |
C18H16O5
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|---|---|
| Molecular Weight |
312.32
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| Exact Mass |
312.099
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| CAS # |
171506-87-9
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| PubChem CID |
780040
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
23
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| Complexity |
393
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C12C(OC(COC3C=CC=CC=3)=C1C(OCC)=O)=CC=C(O)C=2
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| InChi Key |
WMKWHWVWSKDZQK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H16O5/c1-2-21-18(20)17-14-10-12(19)8-9-15(14)23-16(17)11-22-13-6-4-3-5-7-13/h3-10,19H,2,11H2,1H3
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| Chemical Name |
ethyl 5-hydroxy-2-(phenoxymethyl)-1-benzofuran-3-carboxylate
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| Synonyms |
T16A(inh)C01; T16A(inh) C01; T16A(inh)-C01
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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 | 3.2018 mL | 16.0092 mL | 32.0184 mL | |
| 5 mM | 0.6404 mL | 3.2018 mL | 6.4037 mL | |
| 10 mM | 0.3202 mL | 1.6009 mL | 3.2018 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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