| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
CA Ⅱ 0.88 μM (IC50) CA Ⅸ 1.02 μM (IC50) NPP1 1.36 μM (IC50) NPP2 1.35 μM (IC50) NPP3 3.00 μM (IC50)
Enpp/Carbonic anhydrase-IN-1 targets ectonucleotide pyrophosphatase/phosphodiesterase (ENPP) enzymes including NPP1, NPP2, and NPP3, as well as carbonic anhydrase (CA) isoforms including CA-II and CA-IX. By inhibiting ENPP, the compound reduces nucleotide hydrolysis, affecting immune signaling and tumor microenvironment dynamics. Simultaneous inhibition of carbonic anhydrase disrupts pH balance, impairing cancer cell survival and proliferation. |
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| ln Vitro |
Compound 1e (Enpp/Carbonic anhydrase-IN-1; IC50s: 0.32, 0.40, 0.58, 0.87, 0.40, 0.96 µM) for K-562, RPMI-8226, SR, COLO 205, HT-29, and SF-539 cells, respectively, suppresses the proliferation of some cancer cells[1]. With IC50s of > 50 μM, Enpp/Carbonic anhydrase-IN-1 (0-2 µM) exhibits minimal cytotoxicity against normal skin fibroblast cells (F180) and normal breast epithelial cells (HME1)[1]. Apoptosis is induced in K-562 cells by Enpp/Carbonic anhydrase-IN-1 (0.32, 0.64 µM) in a dose-dependent manner[1].
Enpp/Carbonic anhydrase-IN-1 inhibits NPP1, NPP2, NPP3, CA-II, and CA-IX with IC50 values of 1.36, 1.35, 3.00, 0.88, and 1.02 µM, respectively. The compound shows antiproliferative activity against cancer cells and low cytotoxic effects against normal cells. It inhibits the growth of K-562, RPMI-8226, SR, COLO 205, HT-29, and SF-539 cancer cells with IC50 values of 0.32, 0.40, 0.58, 0.87, 0.40, and 0.96 µM, respectively. The compound shows low cytotoxicity against normal breast epithelial cells (HME1) and normal skin fibroblast cells (F180) with IC50 values >50 μM. Enpp/Carbonic anhydrase-IN-1 induces apoptosis in a dose-dependent manner at K-562 cells at concentrations of 0.32 and 0.64 µM. |
| ln Vivo |
No detailed in vivo activity data has been published for Enpp/Carbonic anhydrase-IN-1. The compound has been primarily characterized in vitro as a research tool for studying ENPP and carbonic anhydrase inhibition in oncology and immunometabolism. Its ability to selectively inhibit cancer cell proliferation suggests potential for in vivo applications, but further studies would be needed to evaluate its efficacy in animal models of cancer and inflammatory diseases. The compound's dual inhibitory mechanism may offer advantages for targeting the tumor microenvironment.
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| Enzyme Assay |
The ENPP and carbonic anhydrase inhibitory activities of Enpp/Carbonic anhydrase-IN-1 can be assessed using in vitro enzyme assays. In a typical assay, recombinant NPP1, NPP2, or NPP3 enzymes are incubated with a substrate such as p-nitrophenyl thymidine 5'-monophosphate, and varying concentrations of the compound. The hydrolysis of the substrate is measured spectrophotometrically, and IC50 values are calculated. For carbonic anhydrase inhibition, recombinant CA-II or CA-IX is incubated with a fluorogenic substrate such as 4-methylumbelliferyl acetate, and the decrease in fluorescence is measured.
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| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: K-562, RPMI-8226, SR, COLO 205, HT-29, SF-539 cells Tested Concentrations: 0-100 µM Incubation Duration: Experimental Results: Inhibited the cell growth with IC50s of 0.32, 0.40, 0.58, 0.87, 0.40, 0.96 µM for K-562, RPMI-8226, SR, COLO 205, HT-29, SF-539 cells, respectively. Apoptosis Analysis[1] Cell Types: K-562 cells Tested Concentrations: 0.32, 0.64 µM Incubation Duration: Experimental Results: Induced apoptosis in a dose-dependent manner. The cellular activity of Enpp/Carbonic anhydrase-IN-1 is assessed using various cancer cell lines including K-562, RPMI-8226, SR, COLO 205, HT-29, and SF-539 cells. Cells are seeded in 96-well plates and treated with escalating concentrations of the compound (0-100 µM). Cell viability is measured using MTT or CellTiter-Glo assays, and IC50 values are calculated. Apoptosis is assessed by annexin V/propidium iodide staining or by measuring caspase-3/7 activity in K-562 cells treated with 0.32 and 0.64 µM of the compound. Cytotoxicity against normal cells is assessed using HME1 and F180 cells. |
| Animal Protocol |
No detailed in vivo animal model data has been published for Enpp/Carbonic anhydrase-IN-1. The compound has been primarily characterized in vitro as a research tool. Future studies may involve the use of mouse xenograft models of cancer to assess the in vivo efficacy of the compound. Its ability to inhibit both ENPP and carbonic anhydrase suggests that it could be evaluated in models of solid tumors and inflammatory diseases where these enzymes play critical roles.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data has been published for Enpp/Carbonic anhydrase-IN-1. The compound has a molecular weight of 411.51 and a molecular formula of C23H25NO4S. It is typically stored at -80°C, protected from light, and shipped on dry ice. The compound has a purity of ≥95-99%. Further studies would be needed to characterize its absorption, distribution, metabolism, and excretion properties, including oral bioavailability, plasma protein binding, clearance, and half-life.
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| Toxicity/Toxicokinetics |
No detailed toxicity data has been published for Enpp/Carbonic anhydrase-IN-1. In vitro studies show that the compound has low cytotoxic effects against normal breast epithelial cells (HME1) and normal skin fibroblast cells (F180) with IC50 values >50 μM, suggesting a favorable selectivity profile for cancer cells over normal cells. As a dual ENPP and carbonic anhydrase inhibitor, the compound may have on-target effects on nucleotide metabolism and pH regulation in normal tissues. Comprehensive toxicology studies would be required to evaluate its safety profile for potential therapeutic development.
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| References | |
| Additional Infomation |
Enpp/Carbonic anhydrase-IN-1 (CAS# 2883495-35-8) is a potent dual inhibitor of ENPP (NPP1, NPP2, NPP3) and carbonic anhydrase (CA-II, CA-IX) with IC50 values ranging from 0.88 to 3.00 µM. It selectively inhibits cancer cell proliferation with IC50 values of 0.32-0.96 µM against various cancer cell lines and shows low cytotoxicity against normal cells (IC50 >50 μM). The compound induces apoptosis in K-562 cells. It is a research tool for studying ENPP and carbonic anhydrase inhibition in oncology and immunometabolism. The molecular formula is C23H25NO4S and molecular weight is 411.51.
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| Molecular Formula |
C23H25NO4S
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|---|---|
| Molecular Weight |
411.51
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| Exact Mass |
411.15
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| CAS # |
2883495-35-8
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| PubChem CID |
155806561
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| Appearance |
White to light yellow solid powder
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| Density |
1.342±0.06 g/cm3(Predicted)
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| Boiling Point |
625.8±47.0 °C(Predicted)
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| LogP |
4.8
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
29
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| Complexity |
672
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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=CC=C5
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| InChi Key |
NYTJZFKTUQYXEN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H25NO4S/c25-22(23-13-16-10-17(14-23)12-18(11-16)15-23)24-19-6-8-20(9-7-19)28-29(26,27)21-4-2-1-3-5-21/h1-9,16-18H,10-15H2,(H,24,25)
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| Chemical Name |
[4-(adamantane-1-carbonylamino)phenyl] benzenesulfonate
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 (243.01 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.08 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 25.0 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. Solubility in Formulation 2: 2.5 mg/mL (6.08 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 | 2.4301 mL | 12.1504 mL | 24.3007 mL | |
| 5 mM | 0.4860 mL | 2.4301 mL | 4.8601 mL | |
| 10 mM | 0.2430 mL | 1.2150 mL | 2.4301 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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