| 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 |
20S proteasome (chymotrypsin-like activity, CT-L). Enzyme-IN-1 is a peptide-based N-terminal nucleophile (Ntn) hydrolase inhibitor that specifically targets the CT-L activity of the proteasome.
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| ln Vitro |
Enzyme-IN-1 (compound 1) selectively inhibits the chymotrypsin-like (CT-L) activity of the 20S proteasome. Its peptide-based structure allows it to interact with the catalytic N-terminal threonine residues of the proteasome beta-subunits. It may possess potential anti-inflammatory properties based on preliminary studies.
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| ln Vivo |
In vivo activity data for Enzyme-IN-1 are limited. As a proteasome inhibitor, it may have potential applications in models of inflammation and cancer where proteasome inhibition is beneficial. Further in vivo studies are needed to characterize its efficacy, pharmacokinetics, and anti-inflammatory effects in animal models.
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| Enzyme Assay |
For non-cellular assays, purified 20S proteasome is incubated in assay buffer (50 mM Tris-HCl pH 7.5, 1 mM DTT, 5 mM MgCl2) with a fluorogenic substrate for CT-L activity, such as Suc-LLVY-AMC. Enzyme-IN-1 is added at varying concentrations (0.1-100 microM). After incubation at 37degC for 30-60 min, AMC fluorescence is measured (excitation 380 nm, emission 460 nm) to calculate IC50.
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| Cell Assay |
For cell-based assays, cells (e.g., immune cells or cancer cell lines) are treated with Enzyme-IN-1 (0.1-50 microM) for 4-24 hours. Cells are then lysed, and proteasome CT-L activity in lysates is measured using Suc-LLVY-AMC. Cell viability is assessed by MTT or CCK-8, and inflammatory markers (e.g., NF-kappaB activation, cytokine production) may be evaluated.
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| Animal Protocol |
Enzyme-IN-1 is typically administered intraperitoneally or orally in rodent models. Formulations may use DMSO/PEG300/Tween-80/saline. Tissues (e.g., liver, spleen, or target organs) are collected post-treatment, and proteasome CT-L activity in tissue lysates is measured ex vivo using fluorogenic substrates. Efficacy in inflammatory models may be evaluated.
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| ADME/Pharmacokinetics |
Enzyme-IN-1 is a peptide-based compound with moderate stability. For in vitro use, it is typically dissolved in DMSO to prepare stock solutions (10-50 mM). Detailed pharmacokinetic parameters (half-life, bioavailability, tissue distribution) have not been extensively reported. It is intended for research use.
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| Toxicity/Toxicokinetics |
Toxicological data for Enzyme-IN-1 have not been extensively reported. As a proteasome inhibitor, it may exhibit some cytotoxicity at high concentrations. Standard safety precautions for handling research chemicals should be followed. It is not intended for human therapeutic use.
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| References | |
| Additional Infomation |
Enzyme-IN-1 (CAS: 868540-02-7) has molecular formula C36H50N4O7 and molecular weight 650.80. It is a peptide-based proteasome inhibitor with specificity for the CT-L activity. It serves as a tool for dissecting distinct proteasome catalytic activities and investigating the role of Ntn hydrolases in inflammation and disease.
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| Molecular Formula |
C36H50N4O7
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|---|---|
| Molecular Weight |
650.80
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| Exact Mass |
650.367
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| CAS # |
868540-02-7
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| PubChem CID |
11628864
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| Appearance |
White to off-white solid powder
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| Density |
1.177±0.06 g/cm3(Predicted)
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| Boiling Point |
953.7±65.0 °C(Predicted)
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| LogP |
4.3
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
19
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| Heavy Atom Count |
47
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| Complexity |
1050
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| Defined Atom Stereocenter Count |
5
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| SMILES |
CC(C)C[C@@H](C(=O)[C@]1(CO1)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC3=CC=CC=C3)NC(=O)CO
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| InChi Key |
FPEULINZOIPWNM-VBBSPCATSA-N
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| InChi Code |
InChI=1S/C36H50N4O7/c1-23(2)18-28(32(43)36(5)22-47-36)38-35(46)30(20-26-14-10-7-11-15-26)40-34(45)29(19-24(3)4)39-33(44)27(37-31(42)21-41)17-16-25-12-8-6-9-13-25/h6-15,23-24,27-30,41H,16-22H2,1-5H3,(H,37,42)(H,38,46)(H,39,44)(H,40,45)/t27-,28-,29-,30-,36+/m0/s1
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| Chemical Name |
(2S)-2-[[(2S)-2-[(2-hydroxyacetyl)amino]-4-phenylbutanoyl]amino]-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanamide
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.5366 mL | 7.6829 mL | 15.3657 mL | |
| 5 mM | 0.3073 mL | 1.5366 mL | 3.0731 mL | |
| 10 mM | 0.1537 mL | 0.7683 mL | 1.5366 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
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