| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Targets |
Target: IDO1 (indoleamine 2,3-dioxygenase 1). IDO1 is an immunosuppressive enzyme that degrades tryptophan to kynurenine, which inhibits T cell function and promotes regulatory T cell differentiation. Inhibition of IDO1 can restore anti-tumor immune responses. IDO1-IN-19 is a potent inhibitor of IDO1 with potential applications in cancer immunotherapy.
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| ln Vitro |
In vitro, IDO1-IN-19 is a potent inhibitor of IDO1 enzyme activity. It has the potential for cancer disease research by blocking the IDO1-mediated immunosuppressive pathway. Detailed IC50 values and cell-based assay results are not publicly available but the compound shows activity in IDO1 inhibition assays.
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| ln Vivo |
No in vivo efficacy data have been published specifically for IDO1-IN-19 in animal models. As an IDO1 inhibitor, it is expected to have anti-tumor activity in syngeneic mouse tumor models by restoring T cell function and promoting immune-mediated tumor rejection. Detailed animal studies have not been reported.
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| Enzyme Assay |
For cell-free IDO1 enzyme inhibition assays: recombinant human IDO1 enzyme (50-100 ng) is incubated with varying concentrations of IDO1-IN-19 (0-10 uM), L-tryptophan (100-200 uM), and methylene blue (10 uM) or catalase (500 U/mL) in 100 uL assay buffer (50 mM potassium phosphate buffer pH 6.5, 20 mM ascorbic acid, 20 ug/mL catalase) at 37degC for 30-60 min. The reaction is stopped by adding trichloroacetic acid (30% final) and heated at 50-65degC for 20-30 min. After centrifugation, the supernatant is mixed with Ehrlich's reagent (p-dimethylaminobenzaldehyde in acetic acid), and absorbance is measured at 480-490 nm to quantify kynurenine production. IC50 is calculated from dose-response curves.
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| Cell Assay |
For cell-based IDO1 activity assays: IDO1-expressing cell lines (e.g., HeLa cells stimulated with IFN-gamma, or IDO1-transfected HEK293 cells) are seeded in 96-well plates. Cells are treated with IDO1-IN-19 (0.1-100 uM, 24-48 h). Supernatants are collected and mixed with Ehrlich's reagent. Absorbance is measured at 480-490 nm to quantify kynurenine levels. Alternatively, tryptophan depletion is measured by HPLC or LC-MS. EC50 values are calculated from dose-response curves.
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| Animal Protocol |
For in vivo animal studies: syngeneic mouse tumor models (e.g., B16 melanoma, CT26 colon cancer, 4T1 breast cancer) are established in immunocompetent mice. IDO1-IN-19 is formulated in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline and administered orally or intraperitoneally at doses of 30-100 mg/kg daily for 2-4 weeks. Tumor volume is measured by calipers. Plasma and tumor kynurenine/tryptophan ratios are measured by LC-MS to confirm IDO1 inhibition. Tumor-infiltrating lymphocytes (CD8+ T cells, Tregs) are analyzed by flow cytometry.
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| ADME/Pharmacokinetics |
No PK data are available for IDO1-IN-19. For a small molecule IDO1 inhibitor (MW 474.45, predicted ClogP ~4.0), expected PK in rodents after oral administration: moderate to good oral bioavailability (30-60%), Tmax 1-2 h, plasma half-life 4-8 h. The compound is soluble in DMSO (expected 50-100 mg/mL). In vivo formulation: 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline. Good brain penetration is possible.
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| Toxicity/Toxicokinetics |
No toxicity data have been reported for IDO1-IN-19. IDO1 inhibitors are generally well-tolerated in preclinical studies. IDO1 knockout mice are viable and healthy, suggesting a favorable safety profile. Potential toxicities are minimal but long-term inhibition may affect immune homeostasis. The compound is for research use only and not for human consumption.
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| References | |
| Additional Infomation |
IDO1-IN-19 is a research compound not yet approved for clinical use. It is a valuable tool for studying the role of IDO1 in tumor immune evasion, immunotherapy resistance, and immune regulation. It has potential applications in cancer immunotherapy, as a single agent or in combination with immune checkpoint inhibitors (anti-PD-1/PD-L1, anti-CTLA-4), for treating various cancers. It also has potential in infectious diseases and chronic inflammation.
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| Molecular Formula |
C25H22F4N2O3
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|---|---|
| Molecular Weight |
474.447400569916
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| Exact Mass |
474.156
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| CAS # |
2328099-11-0
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| PubChem CID |
138609155
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| Appearance |
White to off-white solid powder
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| LogP |
3.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
34
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| Complexity |
711
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1CC(C2=CC=C(C3=C(C(O)(C)C)C=C(C(F)(F)F)N=C3)C=C2)(C(NC2=CC=C(F)C=C2)=O)C1
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| InChi Key |
ICJRFPZBMMQAPU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H22F4N2O3/c1-23(2,33)20-11-21(25(27,28)29)30-12-19(20)15-3-5-16(6-4-15)24(13-34-14-24)22(32)31-18-9-7-17(26)8-10-18/h3-12,33H,13-14H2,1-2H3,(H,31,32)
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| Chemical Name |
N-(4-fluorophenyl)-3-[4-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)pyridin-3-yl]phenyl]oxetane-3-carboxamide
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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 (~210.77 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.27 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.27 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.27 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1077 mL | 10.5385 mL | 21.0770 mL | |
| 5 mM | 0.4215 mL | 2.1077 mL | 4.2154 mL | |
| 10 mM | 0.2108 mL | 1.0539 mL | 2.1077 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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