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Purity: ≥98%
IDO inhibitor 1 (IDO-IN-2) is a novel and potent small molecule inhibitor of the IDO enzyme (indoleamine-(2,3)-dioxygenase) with an IC50 of 3 nM in cell free assays, and IC50 values of 0.068 μM in HeLa cell and 0.16 μM in HEK293 cell. Indoleamine 2, 3-dioxygenase (IDO) is an intracellular enzyme that catalyzes the transformation of L-tryptophan to N-formylkynurenine, which is the first and rate-controlling step in the kynurenine pathway. IDO is one of the most important immunoregulator enzyme responsible for metabolism of tryptophan as part of Kynurenin pathway. Tryptophan is catabolized in the tumor tissue by the rate-limiting enzyme IDO expressed in tumor cells or antigen presenting cells.
| ln Vitro |
PCC0208009 functions as an indirect IDO1 inhibitor because it inhibits IDO1 activity in HeLa cells with an IC50 value of 4.52 nM while having no effect on enzyme activity in vitro[1]. IFN-γ-induced IDO protein and mRNA expression are dose-dependently suppressed by PCC0208009 (0-200 nM; 48 hours) [3].
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| ln Vivo |
In adult male Sprague Dawley rats weighing 180–200 grams, PCC0208009 (single oral gavage; 50 mg/kg) was found in plasma and brain samples 60, 120, and 240 minutes after the drug was administered. The maximum concentrations of PCC0208009 were found in the plasma and brain 60 minutes after the drug was administered. The Kyn/Trp ratio also declines concurrently at 60, 120, and 240 minutes after dosing, peaking at 60 minutes in the brain and plasma[1]. In adult male Sprague Dawley rats (180 g–200 g), PCC0208009 (oral gavage; once; 12–50 mg/kg) is detected 30, 60, and 90 minutes after administration to assess the antinociceptive effects of PCC0208009 on neuropathic pain[1].
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| Cell Assay |
Western Blot Analysis[3]
Cell Types: HeLa cells Tested Concentrations: 0, 50, 100, 200 nM Incubation Duration: 48 hrs (hours) Experimental Results: The IDO protein expression induced by IFN-γ was dose-dependently suppressed by PCC, which demonstrated significant differences at 100 and 200 nM (P < 0.05). RT-PCR [3] Cell Types: HeLa cells Tested Concentrations: 0, 50, 100, 200 nM Incubation Duration: 48 hrs (hours) Experimental Results: The IDO mRNA expression by IFN-γ was dose-dependently suppressed by PCC, which demonstrated significant differences at all doses compared with the IFN-γ group. |
| Animal Protocol |
Animal/Disease Models: Adult male Sprague Dawley rats (180 g-200 g) [1]
Doses: 50 mg/kg Route of Administration: Single po (oral gavage) Experimental Results: The highest concentrations of PCC0208009 in plasma and brain were observed at 60 min after administration. Animal/Disease Models: Adult male SD (Sprague-Dawley) rats bearing spinal nerve ligation (SNL)[1] Doses: 12.5 mg/kg, 25 mg/kg, 50 mg/kg Route of Administration: po (oral gavage); once Experimental Results: demonstrated the behavioral tests and the timelines. |
| References |
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| Molecular Formula |
C29H35N7O
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| Molecular Weight |
497.6345
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| Exact Mass |
497.29
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| CAS # |
1668565-74-9
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| Related CAS # |
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| PubChem CID |
90718185
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| Appearance |
White to off-white solid powder
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| LogP |
6.5
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
37
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| Complexity |
686
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(N([H])C1C([H])=C([H])C(C([H])([H])[H])=C([H])C=1[H])N([H])C1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C2C2N=NN([H])N=2)C([H])=C([H])C=1N(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
CJNMMPAEIYFQIJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H35N7O/c1-19(2)17-36(18-20(3)4)27-15-12-22(24-8-6-7-9-25(24)28-32-34-35-33-28)16-26(27)31-29(37)30-23-13-10-21(5)11-14-23/h6-16,19-20H,17-18H2,1-5H3,(H2,30,31,37)(H,32,33,34,35)
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| Chemical Name |
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.02 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (5.02 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0095 mL | 10.0476 mL | 20.0953 mL | |
| 5 mM | 0.4019 mL | 2.0095 mL | 4.0191 mL | |
| 10 mM | 0.2010 mL | 1.0048 mL | 2.0095 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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