| Size | Price | Stock | Qty |
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| 5mg |
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| 25mg |
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| 50mg |
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| Targets |
Indoleamine 2,3-dioxygenase 1 (IDO1) - potent inhibitor (EC50 = 17 nM).
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| ln Vitro |
In vitro enzymatic assays demonstrate that IDO-IN-13 is a potent inhibitor of IDO1 with an EC50 of 17 nM. The compound directly inhibits the enzymatic activity of IDO1, blocking the conversion of tryptophan to kynurenine. By inhibiting IDO1, the compound prevents the depletion of tryptophan and the accumulation of immunosuppressive kynurenine metabolites, thereby restoring T cell proliferation and function. The compound's potent inhibition of IDO1 makes it a valuable tool for studying the role of this enzyme in immune regulation and cancer immunotherapy.
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| ln Vivo |
In vivo studies on IDO-IN-13 are limited, as the compound is primarily used as a research tool for in vitro investigations of IDO1 function and immune regulation. The compound's potent inhibition of IDO1 and its ability to modulate tryptophan metabolism suggest potential applications in cancer immunotherapy, where IDO1 inhibition is being explored as a strategy to enhance anti-tumor immune responses. Further studies are needed to assess the compound's pharmacokinetic properties, oral bioavailability, and efficacy in animal models of cancer and inflammatory diseases.
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| Enzyme Assay |
IDO1 enzymatic activity assays are performed using purified recombinant IDO1 enzyme and L-tryptophan as a substrate. The enzyme is incubated with the substrate and varying concentrations of IDO-IN-13, and the production of kynurenine is measured spectrophotometrically or by HPLC. EC50 values are calculated from dose-response curves to quantify the compound's potency against IDO1. Selectivity against related enzymes such as tryptophan 2,3-dioxygenase (TDO) is assessed using similar biochemical assay formats to confirm the compound's specificity for IDO1.
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| Cell Assay |
Cellular assays for IDO-IN-13 typically involve culturing cells that express IDO1, such as dendritic cells, macrophages, or cancer cell lines. Cells are treated with the compound at various concentrations, and IDO1 activity is assessed by measuring kynurenine levels in the culture supernatant using colorimetric or HPLC-based methods. T cell proliferation assays are performed by co-culturing IDO1-expressing cells with T cells in the presence of IDO-IN-13, and T cell proliferation is measured by [3H]-thymidine incorporation or CFSE dilution. Cytotoxicity against mammalian cells is assessed in parallel to evaluate selectivity.
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| Animal Protocol |
In vivo efficacy of IDO-IN-13 is evaluated in mouse models of cancer or inflammatory diseases where IDO1 plays a role. Tumor-bearing mice are treated with the compound via oral or intraperitoneal administration, and tumor growth and immune cell infiltration are monitored. Alternatively, in models of autoimmune or inflammatory diseases, the compound's ability to modulate tryptophan metabolism and immune responses is assessed. Endpoints include measurement of kynurenine and tryptophan levels in serum and tissues, immune cell phenotyping by flow cytometry, and histopathological examination of affected tissues. Pharmacokinetic studies are conducted to determine the compound's bioavailability and tissue distribution.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of IDO-IN-13 have been characterized to support its use as a research tool. The compound has a molecular weight of 458.43 and the molecular formula C26H17F3N4O. Key PK parameters including half-life, clearance, volume of distribution, and oral bioavailability are determined using LC-MS/MS analysis of plasma and tissue samples following administration. The compound should be stored as a powder at -20°C for up to 3 years. The compound's ability to reach target tissues such as tumors and lymphoid organs is important for its efficacy in in vivo studies.
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| Toxicity/Toxicokinetics |
Toxicological evaluation of IDO-IN-13 is typically conducted in parallel with efficacy studies in cell-based and animal models. Standard toxicology assessments include in vitro cytotoxicity assays against a panel of normal and cancer cell lines to determine the compound's selectivity index. In vivo toxicity studies in rodents include acute and repeated-dose toxicity testing, observation of clinical signs and body weight changes, and histopathological examination of major organs. As an IDO1 inhibitor that modulates tryptophan metabolism and immune function, potential effects on immune homeostasis and neurotransmitter metabolism are carefully monitored.
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| References | |
| Additional Infomation |
IDO-IN-13 is a research tool compound used for studying IDO1 biology and its role in immune suppression, cancer immunotherapy, and inflammatory diseases. The compound is not approved for clinical use and is intended for laboratory research purposes only. Its mechanism of action involves potent inhibition of IDO1 enzymatic activity, which blocks the conversion of tryptophan to kynurenine and prevents the immunosuppressive effects of tryptophan depletion and kynurenine accumulation. This compound is valuable for validating IDO1 as a therapeutic target for cancer immunotherapy and for investigating the role of tryptophan metabolism in immune regulation.
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| Molecular Formula |
C26H17F3N4O
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|---|---|
| Molecular Weight |
458.434595823288
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| Exact Mass |
458.135
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| Elemental Analysis |
C, 68.12 H, 3.74 F, 12.43 N, 12.22 O, 3.49
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| CAS # |
2291164-02-6
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| Related CAS # |
2291164-02-6
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| PubChem CID |
137521135
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| Appearance |
Solid powder
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| LogP |
5.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
34
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| Complexity |
706
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C=C(C=N1)C2=CC=CN3C2=CN=C3C4=C(C(=CC=C4)F)F)C(=O)NC5=CC=C(C=C5)F
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| InChi Key |
MBXPCHYYQRPOOA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H17F3N4O/c1-15-21(26(34)32-18-9-7-17(27)8-10-18)12-16(13-30-15)19-5-3-11-33-23(19)14-31-25(33)20-4-2-6-22(28)24(20)29/h2-14H,1H3,(H,32,34)
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| Chemical Name |
5-(3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl)-N-(4-fluorophenyl)-2-methylnicotinamide
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| Synonyms |
GS-4361 GS 4361 GS4361
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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 | 2.1814 mL | 10.9068 mL | 21.8136 mL | |
| 5 mM | 0.4363 mL | 2.1814 mL | 4.3627 mL | |
| 10 mM | 0.2181 mL | 1.0907 mL | 2.1814 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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