| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 500mg | |||
| 1g | |||
| Other Sizes |
Purity: ≥98%
| Targets |
IDO-IN-1 targets indoleamine 2,3-dioxygenase 1 (IDO1), an enzyme that catalyzes the rate-limiting step in the kynurenine pathway. IDO1 is overexpressed in many cancers and contributes to immune suppression by depleting tryptophan and producing immunosuppressive kynurenines. By inhibiting IDO1, this compound reduces kynurenine production, restores tryptophan levels, and enhances T-cell function.
|
|---|---|
| ln Vitro |
IDO-IN-1 (compound 5m) is a strong IDO inhibitor (HeLa IC50=12 nM) [1].
IDO-IN-1 is a potent and selective inhibitor of IDO1. It effectively blocks the conversion of tryptophan to N-formylkynurenine by IDO1. Its activity has been confirmed in enzyme assays using recombinant IDO1 and in cell-based assays using IDO1-expressing cells. The compound demonstrates high potency and selectivity for IDO1 over other related enzymes. |
| ln Vivo |
IDO-IN-1 has been evaluated in preclinical models of cancer to assess its ability to reverse IDO1-mediated immune suppression and inhibit tumor growth. By blocking IDO1 activity, the compound aims to restore T-cell proliferation and function within the tumor microenvironment. However, detailed in vivo efficacy data for this specific compound is limited in the available literature.
|
| Enzyme Assay |
The primary in vitro assay for IDO-IN-1 is an enzyme activity assay using purified recombinant IDO1. The enzyme is incubated with its substrate L-tryptophan in the presence of the compound, and the production of N-formylkynurenine is measured spectrophotometrically or by HPLC. The IC50 is determined from dose-response curves.
|
| Cell Assay |
In vitro cellular experiments for IDO-IN-1 involve treating IDO1-expressing cells, such as cancer cell lines or dendritic cells, with the compound. The inhibition of IDO1 activity is assessed by measuring kynurenine levels in the culture supernatant using colorimetric assays or HPLC. The effects on T-cell proliferation can be assessed in co-culture assays with IDO1-expressing cells and T-cells.
|
| Animal Protocol |
In vivo animal experiments for IDO-IN-1 would typically involve administering the compound to tumor-bearing mice in syngeneic tumor models. The compound's effects on tumor growth, intratumoral kynurenine levels, and immune cell infiltration are assessed. Its ability to enhance the efficacy of other immunotherapies, such as immune checkpoint inhibitors, can also be evaluated.
|
| ADME/Pharmacokinetics |
IDO-IN-1 (CAS# 914638-30-5) has a molecular weight of 377.48 g/mol and a molecular formula of C22H23N3O3. It is a small molecule that is typically used as a research reagent. It is soluble in DMSO. It is stored as a powder at -20°C for long-term stability.
|
| Toxicity/Toxicokinetics |
IDO-IN-1 is a research compound that is not intended for human use. Its toxicological profile is not extensively characterized in the available literature. As with all research chemicals, standard safety precautions should be followed when handling. Its safety would need to be established for therapeutic applications.
|
| References | |
| Additional Infomation |
IDO-IN-1 (CAS# 914638-30-5) is a potent and selective inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1), a key enzyme in the kynurenine pathway of tryptophan metabolism. IDO1 is overexpressed in many cancers and contributes to immune suppression. By inhibiting IDO1, this compound aims to reverse IDO1-mediated immune suppression and enhance anti-tumor immune responses. It is used in cancer immunotherapy research.
|
| Molecular Formula |
C9H7BRFN5O2
|
|---|---|
| Molecular Weight |
316.0904
|
| Exact Mass |
314.977
|
| CAS # |
914638-30-5
|
| Related CAS # |
914638-30-5;
|
| PubChem CID |
135741412
|
| Appearance |
White to gray solid powder
|
| LogP |
2.455
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
18
|
| Complexity |
321
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Br)F
|
| InChi Key |
ORHZJUSHZUCMKR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
|
| Chemical Name |
(Z)-4-amino-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
|
| Synonyms |
IDO-IN-1 IDO-IN1 IDO-IN 1.
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
DMSO : ~120 mg/mL (~379.64 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (9.49 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 30.0 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: ≥ 3 mg/mL (9.49 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 30.0 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: ≥ 3 mg/mL (9.49 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 | 3.1637 mL | 15.8183 mL | 31.6366 mL | |
| 5 mM | 0.6327 mL | 3.1637 mL | 6.3273 mL | |
| 10 mM | 0.3164 mL | 1.5818 mL | 3.1637 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
COA