| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
CA Ⅸ 0.33 μM (IC50) CA XII 0.68 μM (IC50) NPP1 1.13 μM (IC50) NPP2 1.07 μM (IC50) NPP3 0.74 μM (IC50)
Enpp/Carbonic anhydrase-IN-2 targets two classes of enzymes: ecto-nucleotide pyrophosphatase/phosphodiesterases (ENPPs) and carbonic anhydrases (CAs). ENPPs regulate extracellular nucleotide levels, affecting immune responses and the tumor microenvironment. Carbonic anhydrases control pH balance and are often upregulated in cancer. By simultaneously inhibiting both enzyme classes, this compound disrupts metabolic and signaling pathways essential for tumor survival and immune evasion. It inhibits NPP1, NPP2, NPP3, CA-IX, and CA-XII with IC₅₀ values of 1.13, 1.07, 0.74, 0.33, and 0.68 µM, respectively. |
|---|---|
| ln Vitro |
Compound 1i (Enpp/Carbonic anhydrase-IN-2) (0-100 µM) inhibits the growth of some cancer cells with IC50s of 0.58, 0.58, 0.63, 0.42, 0.20, 0.72, 0.41, 0.76, 0.94, 0.28, 0.49, 0.59, 0.83 µM for K-562, COLO 205, HCT-116, HCT-15, HT29, KM12, SW-620, SF-539, NCI/ADR-RES, A498, PC-3, MCF7, and T-47D cells, respectively[1]. Normal skin fibroblast cells (F180) and normal breast epithelial cells (HME1) exhibit minimal cytotoxicity when exposed to Enpp/Carbonic anhydrase-IN-2 (0-2 µM), with IC50s of > 50 μM[1]. A dose-dependent mechanism of apoptosis induction is shown in K-562 cells by Enpp/ Carbonic anhydrase-IN-2 (0.58, 1.16 µM)[1].
In vitro, Enpp/Carbonic anhydrase-IN-2 demonstrates significant antiproliferative effects on cancer cells while maintaining low cytotoxicity toward normal cell lines. It induces apoptosis in cancer cells. The compound's ability to simultaneously inhibit ENPPs and carbonic anhydrases makes it a valuable tool for cancer biology research and therapeutic development. These in vitro activities support its potential as an anticancer agent. |
| ln Vivo |
In vivo data for Enpp/Carbonic anhydrase-IN-2 is limited in publicly available sources. As a potent dual inhibitor with antiproliferative activity against cancer cells, the compound is expected to have potential applications in animal models of cancer. By disrupting metabolic and signaling pathways essential for tumor survival, it could inhibit tumor growth. However, specific published in vivo efficacy studies are not widely reported. Enpp/Carbonic anhydrase-IN-2 is primarily used as a research compound for studying cancer biology.
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| Enzyme Assay |
The in vitro enzyme inhibition assays for Enpp/Carbonic anhydrase-IN-2 use recombinant ENPP1, ENPP2, ENPP3, CA-IX, and CA-XII enzymes. Enzyme activity is measured using appropriate substrates, and IC₅₀ values are calculated from dose-response curves. Antiproliferative activity is assessed in cancer cell lines using standard cell viability assays such as MTT or CellTiter-Glo. Apoptosis is measured by flow cytometry using Annexin V/PI staining and caspase activity assays.
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| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: K-562, COLO 205, HCT-116, HCT-15, HT29, KM12, SW-620, SF-539, NCI/ADR-RES, A498, PC-3, MCF7, T-47D cells Tested Concentrations: 0-100 µM Incubation Duration: Experimental Results: Inhibited the cell growth with IC50s of 0.58, 0.58, 0.63, 0.42, 0.20, 0.72, 0.41, 0.76, 0.94, 0.28, 0.49, 0.59, 0.83 µM for K-562, COLO 205, HCT-116, HCT-15, HT29, KM12, SW-620, SF-539, NCI/ADR-RES, A498, PC-3, MCF7, T-47D cells, respectively. Apoptosis Analysis[1] Cell Types: K-562 cells Tested Concentrations: 0.58, 1.16 µM Incubation Duration: Experimental Results: Induced apoptosis in a dose-dependent manner. Cellular assays for Enpp/Carbonic anhydrase-IN-2 are conducted in cancer cell lines and normal cell lines to assess selectivity. Cells are treated with varying concentrations of the compound for 48-72 hours. Cell viability and proliferation are measured using standard assays such as MTT or CellTiter-Glo. Apoptosis is assessed by flow cytometry using Annexin V/PI staining, caspase activity assays, and detection of DNA fragmentation. The compound's effects on ENPP and carbonic anhydrase activity are confirmed by measuring enzyme activity in cell lysates. |
| Animal Protocol |
In vivo studies for Enpp/Carbonic anhydrase-IN-2 would typically involve xenograft mouse models of cancer. The compound would be administered via intraperitoneal or oral routes at doses determined by pharmacokinetic studies. Efficacy would be assessed by measuring tumor growth inhibition, with pharmacodynamic markers such as ENPP and carbonic anhydrase activity evaluated in tumor tissues. However, specific published in vivo protocols for Enpp/Carbonic anhydrase-IN-2 are not available in the current literature.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Enpp/Carbonic anhydrase-IN-2 is not extensively reported in publicly available sources. The compound has a molecular weight of 429.50 g/mol and a molecular formula of C₂₃H₂₄FNO₄S. Storage conditions: powder at -20°C for 3 years; in solvent at -20°C for 6 months. As a small molecule dual inhibitor, it is expected to have moderate bioavailability. Detailed PK parameters such as half-life and bioavailability are not available in the current literature for this research compound.
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| Toxicity/Toxicokinetics |
Toxicity data for Enpp/Carbonic anhydrase-IN-2 is derived from in vitro studies showing low cytotoxicity toward normal cell lines. As with all research compounds, Enpp/Carbonic anhydrase-IN-2 is intended for research use only and not for human therapeutic applications. Standard in vitro cytotoxicity assays and in vivo tolerability studies would be required for a complete toxicity assessment. No specific toxicity data has been reported in the available literature.
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| References | |
| Additional Infomation |
Enpp/Carbonic anhydrase-IN-2 is a potent dual inhibitor of ENPPs and carbonic anhydrases, with IC₅₀ values of 1.13 µM (NPP1), 1.07 µM (NPP2), 0.74 µM (NPP3), 0.33 µM (CA-IX), and 0.68 µM (CA-XII). ENPPs regulate extracellular nucleotide levels, affecting immune responses and the tumor microenvironment, while carbonic anhydrases control pH balance and are often upregulated in cancer. By simultaneously inhibiting both enzyme classes, this compound disrupts metabolic and signaling pathways essential for tumor survival. It demonstrates significant antiproliferative effects on cancer cells while maintaining low cytotoxicity toward normal cell lines and induces apoptosis. It has a molecular formula of C₂₃H₂₄FNO₄S and a molecular weight of 429.50 g/mol.
|
| Molecular Formula |
C23H24FNO4S
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|---|---|
| Molecular Weight |
429.504368782043
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| Exact Mass |
429.141
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| CAS # |
2883495-39-2
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| PubChem CID |
155814656
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| Appearance |
White to off-white solid powder
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| LogP |
4.9
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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 |
5
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| Heavy Atom Count |
30
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| Complexity |
706
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)F
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| InChi Key |
LLXLLGJJXOHBLG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H24FNO4S/c24-18-1-7-21(8-2-18)30(27,28)29-20-5-3-19(4-6-20)25-22(26)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17H,9-14H2,(H,25,26)
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| Chemical Name |
[4-(adamantane-1-carbonylamino)phenyl] 4-fluorobenzenesulfonate
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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) |
DMSO : 100 mg/mL (232.83 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.82 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3283 mL | 11.6414 mL | 23.2829 mL | |
| 5 mM | 0.4657 mL | 2.3283 mL | 4.6566 mL | |
| 10 mM | 0.2328 mL | 1.1641 mL | 2.3283 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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