| 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 |
PF-00356231 HCl primarily targets MMP-12 with an IC50 of 1.4 μM. It also inhibits MMP-13 (0.65 nM), MMP-3 (0.39 μM), MMP-9 (0.98 μM), and MMP-8 (1.7 μM). MMPs are zinc-dependent endopeptidases involved in extracellular matrix remodeling. By inhibiting these enzymes, PF-00356231 HCl modulates tissue remodeling and inflammation. The compound's non-peptidic, non-zinc chelating nature makes it a unique MMP inhibitor.
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| ln Vitro |
The hydrochloride compound PF-00356231 against MMP-12/13 is highly impacted by the presence of claroxamate (AH). In the presence of AH, PF-00356231 hydrochloride lowers the IC50 values of MMP-12 (0.014 μM) and MMP-13 (0.27 μM)[1].
In vitro, PF-00356231 HCl functions as an MMP-12 inhibitor with an IC50 of 1.4 μM. It also inhibits MMP-13 (IC50 = 0.65 nM), MMP-3 (IC50 = 0.39 μM), MMP-9 (IC50 = 0.98 μM), and MMP-8 (IC50 = 1.7 μM). Its activity is measured using fluorogenic peptide substrates. The compound forms a specific complex with MMP-12. It is a non-peptidic, non-zinc chelating ligand, distinguishing it from other MMP inhibitors. |
| ln Vivo |
In vivo, PF-00356231 HCl has been studied for its effects on inflammation and tissue remodeling. By inhibiting MMP-12 and other MMPs, the compound modulates extracellular matrix degradation. It has been investigated in models of inflammatory diseases. The compound's specificity for MMP-12 makes it a valuable tool for studying the role of this enzyme in disease. In vivo efficacy is evaluated by measuring tissue remodeling and inflammatory markers.
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| Enzyme Assay |
The cell-free enzyme assay for PF-00356231 HCl involves measuring its inhibitory activity against purified MMPs. The assay uses fluorogenic peptide substrates that are cleaved by active MMPs to produce a fluorescent signal. Inhibition is assessed by incubating each MMP with varying concentrations of PF-00356231 HCl and measuring residual enzymatic activity. IC50 values are determined from dose-response curves for each MMP subtype. Selectivity is evaluated by testing the compound against a panel of MMPs.
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| Cell Assay |
For in vitro cellular assays, PF-00356231 HCl is typically dissolved in DMSO and diluted in cell culture medium. Cells that express MMPs are treated with various concentrations of the compound. MMP activity in cell culture supernatants is measured using zymography or ELISA. Cell proliferation, migration, and invasion assays are used to evaluate functional effects of MMP inhibition. The compound's effects on inflammatory cytokine production are also assessed.
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| Animal Protocol |
In vivo animal studies for PF-00356231 HCl are conducted in models of inflammation and tissue remodeling. The compound is administered via various routes including oral gavage or intraperitoneal injection. Disease progression is monitored using appropriate endpoints. MMP activity and expression in tissues are measured. Inflammatory markers are assessed using ELISA and histopathology.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PF-00356231 HCl include its molecular structure as a non-peptidic small molecule. The compound is typically formulated for in vivo administration using appropriate vehicles. Detailed ADME parameters such as half-life, bioavailability, and tissue distribution are available from published studies. As an MMP inhibitor, its pharmacokinetics are important for understanding its in vivo efficacy. The compound is stored at appropriate conditions as a research reagent.
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| Toxicity/Toxicokinetics |
The toxicity profile of PF-00356231 HCl has been characterized in preclinical studies. As an MMP inhibitor, potential toxicities may include musculoskeletal side effects. The compound's specificity for MMP-12 may reduce off-target toxicity. Standard toxicology studies include acute and sub-chronic toxicity assessments. The compound is intended for research use only and not for therapeutic applications in humans.
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| References | |
| Additional Infomation |
PF-00356231 HCl is a specific, non-peptidic, non-zinc chelating MMP-12 inhibitor (IC50 = 1.4 μM) that also inhibits MMP-13 (0.65 nM), MMP-3 (0.39 μM), MMP-9 (0.98 μM), and MMP-8 (1.7 μM). It binds to MMP-12 and forms a specific complex. PF-00356231 HCl is a valuable tool for studying metalloproteinase biology and inflammation. The compound has not entered clinical trials and is strictly for research purposes.
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| Molecular Formula |
C25H21CLN2O3S
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| Molecular Weight |
464.963844060898
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| Exact Mass |
464.096
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| CAS # |
820223-77-6
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| Related CAS # |
PF-00356231;766536-21-4
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| PubChem CID |
132951358
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| Appearance |
White to light yellow solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
32
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| Complexity |
596
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C(C1SC=C(C2C=CC(C3C=CN=CC=3)=CC=2)C=1)(=O)N[C@@H](C1C=CC=CC=1)CC(=O)O.Cl
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| InChi Key |
AEKSZORLKGTXFF-VZYDHVRKSA-N
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| InChi Code |
InChI=1S/C25H20N2O3S.ClH/c28-24(29)15-22(20-4-2-1-3-5-20)27-25(30)23-14-21(16-31-23)18-8-6-17(7-9-18)19-10-12-26-13-11-19;/h1-14,16,22H,15H2,(H,27,30)(H,28,29);1H/t22-;/m1./s1
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| Chemical Name |
(3R)-3-phenyl-3-[[4-(4-pyridin-4-ylphenyl)thiophene-2-carbonyl]amino]propanoic acid;hydrochloride
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| Synonyms |
PF00356231 HCl; PF 00356231 HCl
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~20.83 mg/mL (~44.80 mM)
H2O : < 0.1 mg/mL |
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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 | 2.1507 mL | 10.7536 mL | 21.5072 mL | |
| 5 mM | 0.4301 mL | 2.1507 mL | 4.3014 mL | |
| 10 mM | 0.2151 mL | 1.0754 mL | 2.1507 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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