| Size | Price | Stock | Qty |
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| 1mg |
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| 50mg | |||
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| Targets |
The primary targets of PG-116800 are matrix metalloproteinases (MMPs), a family of zinc-dependent endopeptidases that degrade extracellular matrix proteins. PG-116800 has high affinity for MMP-2, -3, -8, -9, -13, and -14. By inhibiting these enzymes, the compound prevents the degradation of extracellular matrix components, which is implicated in the pathogenesis of osteoarthritis and other diseases involving tissue remodeling. The compound's hydroxamic acid moiety is a key pharmacophore for zinc chelation at the MMP active site.
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| ln Vitro |
In vitro, PG-116800 demonstrates potent inhibition of multiple MMPs. It has high affinity for MMP-2, -3, -8, -9, -13, and -14. The compound's inhibitory activity is assessed in enzyme assays using recombinant MMPs and fluorogenic peptide substrates. The hydroxamic acid group chelates the catalytic zinc ion in the MMP active site, inhibiting enzyme activity. However, detailed IC50 values for each MMP target are not extensively reported in the available literature.
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| ln Vivo |
In vivo, PG-116800 has been investigated for its effects on left ventricular dysfunction and remodeling in dogs with chronic heart failure. Selective MMP inhibition with PG-116800 attenuates the progression of left ventricular dysfunction and remodeling in this model. The compound is also orally active, indicating good bioavailability. These in vivo findings support the potential of MMP inhibitors for the treatment of cardiovascular diseases and osteoarthritis.
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| Enzyme Assay |
In vitro enzyme assays for PG-116800 typically involve measuring its inhibition of MMP activity. Recombinant MMP enzymes (e.g., MMP-2, -3, -8, -9, -13, -14) are incubated with a fluorogenic peptide substrate in the presence of varying concentrations of the compound. The cleavage of the substrate by the enzyme releases a fluorescent signal, which is measured over time. The IC50 for inhibition is calculated from the concentration-response curve.
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| Cell Assay |
Cellular assays for PG-116800 are performed in cells that produce and secrete MMPs, such as chondrocytes, fibroblasts, or cancer cells. Cells are treated with PG-116800, and the activity of MMPs in the culture supernatant is measured using zymography or fluorogenic substrate assays. The compound's ability to inhibit MMP-mediated degradation of extracellular matrix components is assessed.
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| Animal Protocol |
In vivo animal studies with PG-116800 have been performed in a dog model of chronic heart failure. In this model, dogs with heart failure are treated with PG-116800, and the effects on left ventricular dysfunction and remodeling are assessed. The compound is administered orally, demonstrating its oral bioavailability. Endpoints include echocardiographic parameters, hemodynamic measurements, and histological analysis of cardiac tissue.
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| ADME/Pharmacokinetics |
PG-116800 has a molecular weight of 501.55 and a molecular formula of C24H27N3O7S. It is an orally active MMP inhibitor, indicating good oral bioavailability. However, detailed pharmacokinetic parameters such as half-life, clearance, and volume of distribution are not extensively reported in the available literature.
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| Toxicity/Toxicokinetics |
Comprehensive toxicology data for PG-116800 are not extensively reported. As an MMP inhibitor, it may have effects on extracellular matrix remodeling that could contribute to toxicity at high concentrations. The compound is classified as a research-use-only chemical and is not intended for human consumption. Specific toxicological data, including acute toxicity, genotoxicity, and target organ effects, are not reported in the available literature.
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| References | |
| Additional Infomation |
PG-530742 selectively inhibits certain matrix metalloproteinases (MMPs) associated with cartilage degeneration in osteoarthritis. By inhibiting these MMPs, it has the potential to limit cartilage degeneration and disease progression. Studies are currently underway to evaluate the efficacy and safety of PG-530742 in treating mild to moderate knee osteoarthritis. Drug Indications It has been studied for the treatment of osteoarthritis. Mechanism of Action PG-530742 selectively inhibits certain matrix metalloproteinases: In an independent study, MMP-2, -3, -9, and -13 levels were reduced in the treatment group. Pharmacodynamics PG-530742 selectively inhibits certain matrix metalloproteinases (MMPs) associated with cartilage degeneration in osteoarthritis. By inhibiting these MMPs, PG-530742 holds promise for limiting cartilage degeneration and disease progression. Studies are currently underway to evaluate the efficacy and safety of PG-530742 in treating mild to moderate knee osteoarthritis.
PG-116800 is a research-grade compound not approved for clinical use. Its primary applications are in studying the role of matrix metalloproteinases in osteoarthritis and cardiovascular diseases. The compound is used as a tool to investigate the therapeutic potential of MMP inhibition in tissue remodeling and disease progression. Its oral activity makes it a valuable compound for preclinical studies. |
| Molecular Formula |
C24H27N3O7S
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|---|---|
| Molecular Weight |
501.55
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| Exact Mass |
501.157
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| CAS # |
291533-11-4
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| PubChem CID |
9848869
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| Appearance |
White to off-white solid powder
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| LogP |
3.198
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
35
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| Complexity |
870
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=C(C(NC2=CC=C(S(=O)(NC(C(O)=O)CC#CCN3CCOCC3)=O)C=C2)=O)C=C1
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| InChi Key |
JAYVKNDQKXUNOJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H27N3O7S/c1-33-20-9-5-18(6-10-20)23(28)25-19-7-11-21(12-8-19)35(31,32)26-22(24(29)30)4-2-3-13-27-14-16-34-17-15-27/h5-12,22,26H,4,13-17H2,1H3,(H,25,28)(H,29,30)
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| Chemical Name |
2-((4-(4-methoxybenzamido)phenyl)sulfonamido)-6-morpholinohex-4-ynoic acid
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| Synonyms |
PG-116800 PG 530742PG-530742 PGE-7113313 PG 116800 PGE 7113313 PG530742 PGE7113313PG116800
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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 | 1.9938 mL | 9.9691 mL | 19.9382 mL | |
| 5 mM | 0.3988 mL | 1.9938 mL | 3.9876 mL | |
| 10 mM | 0.1994 mL | 0.9969 mL | 1.9938 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT00067236 | COMPLETEDWITH RESULTS | Drug: PG-116800 (given as PG-530742) Drug: Placebo tablet |
Heart Enlargement Heart Failure Myocardial Infarction |
Procter and Gamble | 2003-09 | Phase 2 |
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