| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
IACS-8968 R-enantiomer targets indoleamine 2,3-dioxygenase (IDO) and tryptophan 2,3-dioxygenase (TDO), the two key enzymes that catalyze the rate-limiting first step of tryptophan catabolism along the kynurenine pathway. By inhibiting these enzymes, the compound reduces the production of immunosuppressive kynurenines, thereby modulating the tumor microenvironment and potentially enhancing anti-tumor immune responses.
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| ln Vitro |
In vitro, IACS-8968 R-enantiomer, as the R-enantiomer of IACS-8968, demonstrates potent inhibition of IDO and TDO enzymes. IACS-8968 has pIC₅0 values of 6.43 for IDO and <5 for TDO. The compound's inhibitory activity is typically assessed in enzyme activity assays using recombinant proteins or cell-based systems. Its dual inhibition profile makes it a valuable tool for studying the role of the kynurenine pathway in immune suppression and tumor progression.
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| ln Vivo |
In vivo studies of IACS-8968 R-enantiomer are likely focused on evaluating its immunomodulatory and anti-tumor efficacy in animal models. As an IDO/TDO inhibitor, it is expected to reverse IDO-mediated immune suppression and enhance anti-tumor immune responses. The compound is used as a research tool to study immune evasion mechanisms, tumor immunology, and inflammatory regulation. Further in vivo studies are needed to fully characterize its pharmacokinetic and pharmacodynamic profiles.
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| Enzyme Assay |
For in vitro enzyme assays, IACS-8968 R-enantiomer is evaluated using enzymatic activity assays that measure IDO1 and TDO-mediated conversion of tryptophan to N-formylkynurenine. The compound is incubated with recombinant IDO1 or TDO enzyme, tryptophan, and appropriate cofactors at various concentrations. The reaction product, kynurenine, is quantified by spectrophotometric or HPLC methods. IC₅0 or pIC₅0 values are determined from dose-response curves.
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| Cell Assay |
For in vitro cellular experiments, IACS-8968 R-enantiomer is typically tested in cells that express IDO1 or TDO, such as cancer cell lines or immune cells. Cells are cultured in appropriate media and treated with various concentrations of the compound. IDO/TDO activity is measured by quantifying kynurenine levels in the culture supernatant using colorimetric or HPLC-based methods. The compound's effects on T cell proliferation and function can be assessed in co-culture systems.
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| Animal Protocol |
For in vivo animal experiments, IACS-8968 R-enantiomer can be administered to tumor-bearing mice via various routes including oral gavage, intravenous injection, or intraperitoneal injection. Syngeneic mouse tumor models that express IDO1 or TDO are commonly used to evaluate the immunomodulatory and antitumor effects of IDO/TDO inhibition. Tumor volume, immune cell infiltration, and kynurenine levels in plasma and tumor tissues are measured as pharmacodynamic markers.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of IACS-8968 R-enantiomer are not extensively detailed in the public literature. As a small molecule with a molecular weight of 381.35, it is likely to have reasonable bioavailability and tissue distribution. The compound is soluble in DMSO. Detailed parameters such as Cₘₐₓ, Tₘₐₓ, AUC, half-life, and clearance would need to be determined through comprehensive PK studies. Its metabolism and excretion pathways remain to be fully characterized.
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| Toxicity/Toxicokinetics |
Toxicological data for IACS-8968 R-enantiomer are limited, as it is primarily a research tool. As an IDO/TDO inhibitor, its toxicity would depend on the importance of the kynurenine pathway for normal immune function and metabolism. Comprehensive toxicology studies including acute and repeated-dose toxicity, genotoxicity, and cardiotoxicity assessments would be needed for further development. Appropriate safety precautions should be taken when handling this compound.
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| References | |
| Additional Infomation |
IACS-8968 R-enantiomer is a research compound used to study IDO/TDO biology and evaluate IDO/TDO-targeted immunomodulatory strategies. No clinical trials or regulatory approvals have been reported for this compound as a therapeutic agent. It is available from various chemical suppliers for research purposes only. The compound's dual IDO and TDO inhibition makes it a valuable tool for investigating the role of the kynurenine pathway in immune evasion and tumor immunology.
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| Molecular Formula |
C17H18F3N5O2
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|---|---|
| Molecular Weight |
381.352333545685
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| Exact Mass |
381.141
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| CAS # |
2239305-67-8
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| Related CAS # |
IACS-8968;2144425-14-7;IACS-8968 S-enantiomer;2239305-70-3
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| PubChem CID |
134814486
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
27
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| Complexity |
655
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| Defined Atom Stereocenter Count |
1
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| SMILES |
N1[C@@]2(CCN(C3N4C=NC=C4C=C(C(F)(F)F)C=3)CC2(C)C)C(=O)NC1=O
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| InChi Key |
UBMTZODMRPHSBC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H18F3N5O2/c1-15(2)8-24(4-3-16(15)13(26)22-14(27)23-16)12-6-10(17(18,19)20)5-11-7-21-9-25(11)12/h5-7,9H,3-4,8H2,1-2H3,(H2,22,23,26,27)
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| Chemical Name |
6,6-dimethyl-8-(7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
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| Synonyms |
IACS-8968 R-enantiomer IACS 8968 IACS8968
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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 : ~50 mg/mL (~131.11 mM)
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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 | 2.6223 mL | 13.1113 mL | 26.2226 mL | |
| 5 mM | 0.5245 mL | 2.6223 mL | 5.2445 mL | |
| 10 mM | 0.2622 mL | 1.3111 mL | 2.6223 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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