| Size | Price | Stock | Qty |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
aspartyl protease; HIV-1/2 proteases
Aspartic proteases (aspartyl proteases), including pepsin, cathepsin D, renin, and HIV-1/2 proteases. Acetylpepstatin binds to the active site of aspartic proteases, which contain a conserved aspartate residue essential for catalytic activity. It inhibits HIV-1 protease with a Ki of 13 nM and XMRV protease with a Ki of 712 nM. The compound exhibits IC50 values ranging from nanomolar to micromolar concentrations depending on the target enzyme. |
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| ln Vitro |
HIV-specific gag proteins' intracellular processing is impacted by pepstatin A (7 μM; 48 hours) [2].
Acetylpepstatin demonstrates potent inhibition of aspartic proteases in vitro, with Ki values of 13 nM for HIV-1 protease and 712 nM for XMRV protease. It inhibits pepsin, cathepsin D, renin, and HIV-2 protease with high specificity. The compound effectively blocks the catalytic activity of these enzymes, preventing substrate cleavage. Its inhibitory potency has been characterized in various enzyme kinetic studies using fluorogenic or chromogenic peptide substrates. |
| ln Vivo |
The toxicity of pepstatin (Pepstatin A) is incredibly low. For mice, rats, rabbits, and dogs, the intraperitoneal route's LD50 is 1090 mg/kg, 875 mg/kg, 820 mg/kg, and 450 mg/kg, respectively; for all species, the oral route's LD50 is greater than 2000 mg/kg [1]. In ligated Shay rats, pyloric gastric ulceration is inhibited by oral pepstatin (0.5–50 mg/kg) [1].
Acetylpepstatin is not used as a therapeutic agent in vivo but is employed as a research tool to study the biological roles of aspartic proteases. It has been shown to effectively block HIV-1 proteinase activity, making it useful for studying viral maturation and replication. The compound is used in animal models to investigate the physiological and pathological functions of aspartic proteases in various biological processes. |
| Enzyme Assay |
In vitro enzyme inhibition assays for Acetylpepstatin involve measuring aspartic protease activity in the presence of varying concentrations of the compound. The enzyme is incubated with a fluorogenic or chromogenic peptide substrate, and cleavage is monitored spectrophotometrically or fluorometrically. IC50 or Ki values are determined from dose-response curves. For HIV-1 protease, assays typically use recombinant enzyme and a substrate corresponding to the viral gag-pol cleavage site.
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| Cell Assay |
Cellular assays for Acetylpepstatin are not typically performed, as the compound acts directly on extracellular or secreted proteases rather than through cellular signaling pathways. However, antiviral assays may be conducted using HIV-infected cell cultures treated with Acetylpepstatin to assess inhibition of viral replication. Viral protease activity is measured by assessing processing of viral polyproteins using Western blotting with specific antibodies.
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| Animal Protocol |
Animal/Disease Models: Pyloric ligation male Wistar rats [1]
Doses: 0.5, 1, 10 and 50 mg/kg Route of Administration: Orally, 15 minutes after pylorus ligation Experimental Results: Effectively prevent gastric ulcers. In vivo animal studies for Acetylpepstatin are not extensively documented, as the compound is primarily used as a research tool in biochemical and virological studies. When used in animal models, it is typically administered via injection to study the role of aspartic proteases in disease processes such as inflammation, fibrosis, or infection. Dosing regimens vary depending on the specific research objectives. |
| ADME/Pharmacokinetics |
Acetylpepstatin has a molecular weight of 703.9 g/mol and a molecular formula of C33H61N5O11. The compound is typically supplied as a lyophilized powder with a purity of ≥95%. It is soluble in DMSO and methanol. For long-term storage, it should be kept at -20°C protected from light. Detailed pharmacokinetic parameters such as half-life, bioavailability, and tissue distribution are not extensively documented.
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| Toxicity/Toxicokinetics |
Acetylpepstatin is generally considered safe for research use at appropriate concentrations. Comprehensive toxicological data are limited as the compound is intended for research use only and is not approved for human therapeutic applications. Standard laboratory safety precautions should be taken when handling the compound. It should be stored under recommended conditions as specified in the Certificate of Analysis.
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| References | |
| Additional Infomation |
It has been reported that Streptomyces contains Acetylpepstatin inhibitors, and relevant data is available for reference.
Acetylpepstatin (Pepstatin acetate) is a potent and specific inhibitor of aspartic proteases including pepsin, cathepsin D, renin, and HIV-1/2 proteases. It inhibits HIV-1 protease with a Ki of 13 nM. The compound is widely used in enzymology research to dissect the roles of aspartic proteases in various biological processes. It is not approved for clinical use and is available for research purposes only. |
| Molecular Weight |
643.81238
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| Exact Mass |
643.415
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| Elemental Analysis |
C, 57.83; H, 8.92; N, 10.88; O, 22.36
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| CAS # |
28575-34-0
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| Related CAS # |
Pepstatin;26305-03-3;Pepstatin Trifluoroacetate;Pepstatin Ammonium
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| PubChem CID |
5481345
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
992.8±65.0 °C at 760 mmHg
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| Flash Point |
554.2±34.3 °C
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| Vapour Pressure |
0.0±0.6 mmHg at 25°C
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| Index of Refraction |
1.508
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| LogP |
0.75
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| Hydrogen Bond Donor Count |
8
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
20
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| Heavy Atom Count |
45
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| Complexity |
1000
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| Defined Atom Stereocenter Count |
7
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| SMILES |
C(NC(C(C)C)C(NC(C(C)C)C(NC(CC(C)C)C(O)CC(NC(C)C(NC(CC(C)C)C(O)CC(O)=O)=O)=O)=O)=O)(=O)C
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| InChi Key |
WKYBEGDEGRCZNF-LBTYKNIQSA-N
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| InChi Code |
InChI=1S/C31H57N5O9/c1-15(2)11-21(35-30(44)28(18(7)8)36-31(45)27(17(5)6)33-20(10)37)23(38)13-25(40)32-19(9)29(43)34-22(12-16(3)4)24(39)14-26(41)42/h15-19,21-24,27-28,38-39H,11-14H2,1-10H3,(H,32,40)(H,33,37)(H,34,43)(H,35,44)(H,36,45)(H,41,42)/t19-,21-,22-,23-,24-,27-,28-/m0/s1
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| Chemical Name |
(3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methylheptanoic acid
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| Synonyms |
Acetyl-pepstatin; Acetylpepstatin; 28575-34-0; Acetyl pepstatin; (3S,4S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoyl]amino]-3-hydroxy-6-methylheptanoic acid; Pepstatin A (acetate); L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-[4-[[2-[[1-(2-carboxy-1-hydroxyethyl)-3-methylbutyl]amino]-1-methyl-2-oxoethyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]-, monoacetate (ester), [1S-[1R*,2R*,4[R*[R*(R*)]]]]- (9CI); Pepstatin Ac;
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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 | 1.5533 mL | 7.7663 mL | 15.5325 mL | |
| 5 mM | 0.3107 mL | 1.5533 mL | 3.1065 mL | |
| 10 mM | 0.1553 mL | 0.7766 mL | 1.5533 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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