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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| Targets |
Enpp-1-IN-14 targets Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1), an enzyme involved in regulating extracellular nucleotide levels and pyrophosphate metabolism. ENPP1 plays a role in bone mineralization and immune regulation. By inhibiting ENPP1 with an IC50 of 32.38 nM, the compound may prevent abnormal calcification and improve bone health. Enpp-1-IN-14 also has anti-tumor activity. The compound's potent ENPP1 inhibition makes it a valuable tool for studying ENPP1-related diseases.
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| ln Vitro |
In vitro, Enpp-1-IN-14 is a potent inhibitor of ENPP1 with an IC50 of 32.38 nM against recombinant human ENPP-1. The compound's inhibitory activity is measured in enzyme assays using recombinant ENPP1. Enpp-1-IN-14 has anti-tumor activity. It is used in research to study the role of ENPP1 in mineralization-related diseases and cancer. The compound's potency and selectivity make it a valuable tool for studying ENPP1 biology.
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| ln Vivo |
Tumor growth was markedly inhibited by Enpp-1-IN-14 (Compound 015) (50 mg/kg; IP; BID for 31 days) [1].
In vivo, Enpp-1-IN-14 (50 mg/kg; IP; BID, for 31 days) significantly inhibits tumor growth in female C57BL/6 mice (4-6 weeks old; subcutaneous implantation of 2×10^5 MC38 cells). This demonstrates the compound's anti-tumor activity in vivo. The compound is currently being evaluated in preclinical studies for its therapeutic potential in mineralization-related diseases. Further studies are needed to fully characterize its in vivo pharmacology and safety. |
| Enzyme Assay |
In vitro enzyme assays for Enpp-1-IN-14 involve measuring the inhibition of ENPP1 enzymatic activity. The enzyme is incubated with a substrate (e.g., p-nitrophenyl thymidine 5'-monophosphate) in the presence of varying concentrations of the compound. The hydrolysis of the substrate releases a product that can be measured spectrophotometrically. The IC50 value, representing the concentration required to inhibit 50% of the enzyme activity, is calculated from the dose-response curve. The compound is typically dissolved in DMSO for stock solutions and diluted in the assay buffer.
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| Cell Assay |
In vitro cell-based assays for Enpp-1-IN-14 are performed to study its effects on ENPP1-mediated cellular processes. Cells are treated with varying concentrations of the compound, and the effects on cell viability, proliferation, and signaling pathways are assessed. The compound's anti-tumor activity can be studied in cancer cell lines. The compound is typically dissolved in DMSO and diluted in cell culture medium.
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| Animal Protocol |
Animal/Disease Models: Female C57BL/6 mice (4-6 weeks; 2 × 105 MC38 cells implanted subcutaneously (sc) (sc)) [1]
Doses: 50 mg/kg Route of Administration: IP; BID, for 31 days (single injection of tumor site) 10 Gy local radiation exposure) Experimental Results: Dramatically inhibited tumor growth. In vivo animal experiments with Enpp-1-IN-14 have been conducted in female C57BL/6 mice. The compound was administered intraperitoneally at a dose of 50 mg/kg twice daily for 31 days. Tumor growth was significantly inhibited in mice with subcutaneous implantation of MC38 cells. These results demonstrate the compound's in vivo anti-tumor efficacy. The compound's effects on bone mineralization could also be studied in relevant animal models. |
| ADME/Pharmacokinetics |
Enpp-1-IN-14 has a molecular weight of 403.88 g/mol and the formula C15H22ClN5O4S. The compound is a potent ENPP1 inhibitor with an IC50 of 32.38 nM. It has anti-tumor activity. For storage, the compound is kept at -20°C. Its purity is typically >99%. The compound is also known as Compound 015. It is currently being evaluated in preclinical studies for its therapeutic potential in mineralization-related diseases.
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| Toxicity/Toxicokinetics |
Specific toxicological data for Enpp-1-IN-14 are not provided in the available sources. As a research chemical, its safety profile in humans has not been established. The compound is classified as a research reagent and is not for therapeutic or veterinary use. Standard laboratory safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment.
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| References | |
| Additional Infomation |
Enpp-1-IN-14 (CAS 2687222-59-7) is a potent inhibitor of Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1). It has an IC50 value of 32.38 nM against recombinant human ENPP-1. The compound has the molecular formula C15H22ClN5O4S and a molecular weight of 403.88 g/mol. Enpp-1-IN-14 (50 mg/kg; IP; BID, for 31 days) significantly inhibits tumor growth in female C57BL/6 mice. It is currently being evaluated in preclinical studies for its therapeutic potential in mineralization-related diseases. The compound is also known as Compound 015. It is intended for research use only.
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| Molecular Formula |
C15H22CLN5O4S
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|---|---|
| Molecular Weight |
403.88
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| Exact Mass |
403.108
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| CAS # |
2687222-59-7
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| PubChem CID |
156824020
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
26
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| Complexity |
543
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C1C(=CC2N=CN=C(N3CCCN(S(=O)(=O)N)CC3)C=2C=1)OC)C.Cl
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| InChi Key |
QUKMVZAYVWFICZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H21N5O4S.ClH/c1-23-13-8-11-12(9-14(13)24-2)17-10-18-15(11)19-4-3-5-20(7-6-19)25(16,21)22;/h8-10H,3-7H2,1-2H3,(H2,16,21,22);1H
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| Chemical Name |
4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepane-1-sulfonamide;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 |
| 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 : ~9.62 mg/mL (~23.82 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 10 mg/mL (24.76 mM) in 50% PEG300 +50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4760 mL | 12.3799 mL | 24.7598 mL | |
| 5 mM | 0.4952 mL | 2.4760 mL | 4.9520 mL | |
| 10 mM | 0.2476 mL | 1.2380 mL | 2.4760 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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