| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
IDO/TDO-IN-1 targets indoleamine-2,3-dioxygenase (IDO) and tryptophan 2,3-dioxygenase (TDO), two key enzymes in the kynurenine pathway of tryptophan metabolism. IDO and TDO catalyze the rate-limiting step of tryptophan catabolism, leading to the production of immunosuppressive kynurenine metabolites that contribute to immune evasion in the tumor microenvironment. IDO/TDO-IN-1 inhibits IDO with an IC50 of 9.7 nM and TDO with an IC50 of 47 nM. By blocking both enzymes, the compound reduces kynurenine production and relieves immunosuppression.
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| ln Vitro |
IDO/TDO-IN-1 has an IC50 of 76 nM for IDO inhibition in the HeLa cell line[1].
In vitro, IDO/TDO-IN-1 potently inhibits IDO and TDO with IC50 values of 9.7 nM and 47 nM, respectively. The compound also inhibits IDO in HeLa cells with an IC50 of 76 nM. By blocking IDO and TDO activity, IDO/TDO-IN-1 reduces the production of immunosuppressive kynurenine metabolites. These in vitro data demonstrate the compound's potential as an immunomodulatory agent for cancer immunotherapy. |
| ln Vivo |
In vivo, IDO/TDO-IN-1 is orally active and has been studied for its anticancer and immunomodulatory effects. By inhibiting IDO and TDO, the compound reduces kynurenine production in the tumor microenvironment, thereby relieving immunosuppression and potentially enhancing antitumor immune responses. Detailed in vivo efficacy data are available in the scientific literature. IDO/TDO-IN-1 is for research purposes only and is not approved for clinical use.
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| Enzyme Assay |
Enzyme activity assays for IDO/TDO-IN-1 are performed using purified recombinant IDO and TDO enzymes. IDO activity is measured by monitoring the conversion of tryptophan to N-formylkynurenine. TDO activity is measured similarly using tryptophan as substrate. IDO/TDO-IN-1 is incubated with the enzyme and substrate at varying concentrations in appropriate assay buffer. The reaction is stopped, and product formation is quantified by measuring absorbance at 321 nm or by HPLC. IC50 values are calculated from concentration-response curves. Nonspecific activity is determined in control reactions without inhibitor.
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| Cell Assay |
Cellular assays for IDO/TDO-IN-1 are performed using cell lines that express IDO, such as HeLa cells stimulated with IFN-gamma to induce IDO expression. Cells are cultured in appropriate media and treated with IDO/TDO-IN-1 at varying concentrations for defined time periods. IDO activity is assessed by measuring the levels of tryptophan and kynurenine in the culture supernatant using HPLC or LC-MS. Cell viability is assessed using standard assays such as MTT or CellTiter-Glo. The compound's effects on T cell proliferation may be assessed in co-culture assays.
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| Animal Protocol |
In vivo studies with IDO/TDO-IN-1 are conducted in mouse tumor models to evaluate the compound's ability to enhance antitumor immune responses. IDO/TDO-IN-1 is administered via oral routes at defined doses and schedules. Tumor growth is monitored by caliper measurements. Immune cell infiltration and activation in the tumor microenvironment are assessed by flow cytometry or immunohistochemistry. Kynurenine levels in plasma and tumor tissues are measured by LC-MS. The compound's immunomodulatory effects are being investigated in preclinical models.
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| ADME/Pharmacokinetics |
IDO/TDO-IN-1 has a molecular weight of 413.49 and a molecular formula of C25H24FN5. The compound is orally active. Detailed pharmacokinetic parameters, including oral bioavailability and half-life, have been characterized in preclinical studies. The compound is soluble in DMSO. It should be stored at -20degC. IDO/TDO-IN-1 is intended for research use only and is not approved for clinical use.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for IDO/TDO-IN-1 are not extensively documented in publicly available sources. The compound is intended for research use only and is not approved for human therapeutic applications. Standard laboratory safety practices should be followed when handling this compound, including the use of appropriate personal protective equipment and adherence to institutional biosafety and chemical hygiene guidelines. The compound has a purity of ≥98%.
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| References | |
| Additional Infomation |
IDO/TDO-IN-1 is a highly potent and orally active dual inhibitor of indoleamine-2,3-dioxygenase (IDO) and tryptophan 2,3-dioxygenase (TDO) with IC50 values of 9.7 nM and 47 nM, respectively. IDO and TDO are key enzymes in the kynurenine pathway of tryptophan metabolism that contribute to immunosuppression in the tumor microenvironment. IDO/TDO-IN-1 has anticancer and immunomodulatory effects. The compound is for research purposes only.
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| Molecular Formula |
C25H24FN5
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|---|---|
| Molecular Weight |
413.49
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| Exact Mass |
413.201
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| CAS # |
2033173-01-0
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| Related CAS # |
(R)-IDO/TDO-IN-1;2033173-00-9
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| PubChem CID |
122650373
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| Appearance |
White to off-white solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
31
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| Complexity |
617
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C12=CN=CN1[C@@H](C1CCN(C3=CC=C(C4=CN(C)N=C4)C=C3)CC1)C1=C2C=CC=C1F
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| InChi Key |
UJGQDAMZVUNFBQ-VWLOTQADSA-N
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| InChi Code |
InChI=1S/C25H24FN5/c1-29-15-19(13-28-29)17-5-7-20(8-6-17)30-11-9-18(10-12-30)25-24-21(3-2-4-22(24)26)23-14-27-16-31(23)25/h2-8,13-16,18,25H,9-12H2,1H3/t25-/m0/s1
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| Chemical Name |
(5S)-6-fluoro-5-[1-[4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : ~30 mg/mL (~72.55 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.4 mg/mL (5.80 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 24.0 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: ≥ 2.4 mg/mL (5.80 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 24.0 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: ≥ 2.4 mg/mL (5.80 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 | 2.4184 mL | 12.0922 mL | 24.1844 mL | |
| 5 mM | 0.4837 mL | 2.4184 mL | 4.8369 mL | |
| 10 mM | 0.2418 mL | 1.2092 mL | 2.4184 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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