| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
2.6 μM (in plasma MPO assay); 0.12 μM (in fluorescent MPO peroxidation assay)[1]
The primary target of MPO-IN-1 is myeloperoxidase (MPO), a heme-containing enzyme that produces toxic oxidants. The compound is a potent and irreversible inhibitor of MPO. It also inhibits thyroid peroxidase (TPO) with an IC50 of 5.3 µM. By inhibiting MPO, MPO-IN-1 reduces the production of hypochlorous acid and other toxic oxidants, thereby attenuating inflammation and oxidative stress. |
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| ln Vitro |
In vitro, MPO-IN-1 inhibits MPO with an IC50 of 0.12 µM in a fluorescent MPO peroxidation assay. In a plasma MPO assay, the IC50 is 2.6 µM. The compound also inhibits TPO with an IC50 of 5.3 µM. These data demonstrate that MPO-IN-1 is a potent MPO inhibitor with some selectivity over TPO.
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| ln Vivo |
In a mouse peritonitis model of acute inflammation, MPO-IN-1 (compound 2) (5 and 90 mg/kg; po; four hours post-Zymosan A treatment) dramatically lowers MPO activity[1]. MPO-IN -1 mouse pharmacokinetic parameter[1]. AUCinf (nM·h) po Cmax (nM) po PPB (%) F (%) 1/10 mg/kg iv/po 9.8 2.6 2486 502 99.6 61 Dose Vss (L/kg) T1/2 (h)
In vivo, MPO-IN-1 inhibits MPO activity in a mouse model of acute inflammation. The compound is orally active, making it suitable for in vivo studies. It has potential applications in the treatment of inflammatory diseases. |
| Enzyme Assay |
The in vitro enzyme assay for MPO-IN-1 involves measuring the inhibition of MPO activity. MPO is incubated with hydrogen peroxide and a chromogenic or fluorogenic substrate, such as Amplex Red or taurine, in the presence of the compound. The production of the oxidized product is measured spectrophotometrically or fluorometrically. The IC50 value is calculated by fitting dose-response curves to the inhibition data.
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| Cell Assay |
Cellular assays for MPO-IN-1 typically involve the use of immune cells, such as neutrophils or macrophages, that express MPO. Cells are stimulated to produce reactive oxygen species, and the compound's ability to inhibit MPO activity and reduce oxidative stress is assessed. The compound's effects on cell viability, inflammatory cytokine production, and signaling pathways may also be evaluated.
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| Animal Protocol |
Animal/Disease Models: Male C57BL/6J mice (mouse peritonitis model of acute inflammation)[1]
Doses: 5 and 90 mg/kg Route of Administration: po (four hrs (hours) post-Zymosan A administration) Experimental Results: Resulted in a ~50 % reduction in MPO activity at 90 mg/kg. In vivo animal studies for MPO-IN-1 have been conducted in a mouse model of acute inflammation. The compound was administered orally, and its effects on MPO activity and inflammatory markers were assessed. The compound's ability to reduce tissue damage and inflammation was evaluated. |
| ADME/Pharmacokinetics |
As a small molecule, the pharmacokinetic properties of MPO-IN-1 would depend on its physicochemical characteristics. The compound is orally active, suggesting good oral bioavailability. Detailed ADME parameters such as half-life, bioavailability, and tissue distribution are not available in the public domain.
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| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for MPO-IN-1 in the available literature. As a research chemical, the compound is intended for laboratory use only and should be handled with standard safety precautions. Toxicity studies would be required if the compound were to be developed further for therapeutic applications.
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| References | |
| Additional Infomation |
MPO-IN-1 (CAS#: 2471981-21-0) is an orally active myeloperoxidase (MPO) inhibitor. It is a potent, irreversible indole-containing MPO inhibitor. MPO-IN-1 inhibits MPO and thyroid peroxidase (TPO). It is useful in inflammation research. The compound inhibits MPO activity in a mouse model of acute inflammation.
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| Molecular Formula |
C24H21CLN4
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|---|---|
| Molecular Weight |
400.903343915939
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| Exact Mass |
400.145
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| CAS # |
2471981-21-0
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| PubChem CID |
156018629
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| Appearance |
Off-white to gray solid powder
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| LogP |
5.1
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
29
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| Complexity |
549
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(CN(C)C)=CC=C(N2C3=NC=CC(Cl)=C3C(C3=CC4=C(C=C3)C=CN4)=C2)C=C1
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| InChi Key |
MEHXWAPPUMNIFQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H21ClN4/c1-28(2)14-16-3-7-19(8-4-16)29-15-20(23-21(25)10-12-27-24(23)29)18-6-5-17-9-11-26-22(17)13-18/h3-13,15,26H,14H2,1-2H3
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| Chemical Name |
1-[4-[4-chloro-3-(1H-indol-6-yl)pyrrolo[2,3-b]pyridin-1-yl]phenyl]-N,N-dimethylmethanamine
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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: 200 mg/mL (498.88 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 | 2.4944 mL | 12.4719 mL | 24.9439 mL | |
| 5 mM | 0.4989 mL | 2.4944 mL | 4.9888 mL | |
| 10 mM | 0.2494 mL | 1.2472 mL | 2.4944 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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