| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
ML-345 targets insulin-degrading enzyme (IDE), a zinc metalloprotease that plays a critical role in the degradation of insulin and other bioactive peptides. By inhibiting IDE, ML-345 can modulate insulin levels and glucose metabolism. ML-345 also inhibits NLRP3 and targets the Cys819 residue, inhibiting the release of inflammatory cytokines such as IL-1β and IL-6.
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| ln Vitro |
In vitro, ML-345 is a potent and selective IDE inhibitor with an IC₅₀ of 188 nM. It targets cysteine819 in IDE with an EC₅₀ of 188 nM. ML-345 demonstrates 10-fold selectivity for IDE over a panel of enzymes with reactive cysteine residues. It can be used as a pharmacophore for agent development in diabetes research.
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| ln Vivo |
In vivo, ML-345 may serve as a pharmacophore for the development of active molecules for diabetes. It can be used for studying type 2 diabetes and Alzheimer's disease. Detailed in vivo data regarding dosage, administration routes, and specific efficacy endpoints are limited in the available literature.
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| Enzyme Assay |
ML-345's IDE inhibition activity has been characterized using biochemical enzyme assays. The compound inhibits IDE with an IC₅₀ of 188 nM. Binding assays typically involve measuring the inhibition of IDE-mediated degradation of fluorogenic or radiolabeled substrates. Selectivity against other enzymes is assessed to confirm target specificity.
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| Cell Assay |
In vitro cell experiments with ML-345 involve treating cells with the compound and assessing its effects on IDE activity, insulin degradation, and glucose uptake. The compound is used in biochemical and cellular studies to probe IDE activity and related metabolic pathways. Its effects on inflammatory cytokine release can also be assessed.
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| Animal Protocol |
In vivo animal studies with ML-345 have been conducted using models of type 2 diabetes and Alzheimer's disease. The compound is typically administered via oral gavage or injection. Detailed protocols regarding dosage, treatment duration, and specific animal models are not extensively reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic data specific to ML-345 are limited in the available literature. As a small molecule with a molecular weight of 479.55 g/mol, the compound is expected to have reasonable bioavailability. The compound should be stored away from moisture, with powder stable at -20°C for 3 years.
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| Toxicity/Toxicokinetics |
ML-345 is considered safe for research use at typical concentrations. As a research compound, it is intended for laboratory use only and not for human or veterinary use. The compound should be handled under standard laboratory safety practices with appropriate precautions.
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| References | |
| Additional Infomation |
ML-345 has a molecular formula of C₂₁H₂₂FN₃O₅S₂ and a molecular weight of 479.55 g/mol. Purity is typically 99.21%. The compound is a selective and potent IDE inhibitor with an IC₅₀ of 188 nM. It targets cysteine819 in IDE and is used for studying type 2 diabetes and Alzheimer's disease.
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| Molecular Formula |
C21H22FN3O5S2
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|---|---|
| Molecular Weight |
479.544886112213
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| Exact Mass |
479.098
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| CAS # |
1632125-79-1
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| PubChem CID |
57390068
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
711.7±70.0 °C at 760 mmHg
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| Flash Point |
384.2±35.7 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.658
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| LogP |
1.32
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
785
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
FVKOFZKSMMIUTL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H22FN3O5S2/c22-15-1-4-20-17(13-15)21(26)25(31-20)19-14-16(32(27,28)24-7-11-30-12-8-24)2-3-18(19)23-5-9-29-10-6-23/h1-4,13-14H,5-12H2
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| Chemical Name |
5-fluoro-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one
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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 : ~25 mg/mL (~52.13 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 | 2.0853 mL | 10.4267 mL | 20.8533 mL | |
| 5 mM | 0.4171 mL | 2.0853 mL | 4.1707 mL | |
| 10 mM | 0.2085 mL | 1.0427 mL | 2.0853 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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