| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
Caspase 3
PETCM targets the apoptosome, a multiprotein complex that activates caspase-9 and subsequently caspase-3. PETCM acts via inhibition of the oncoprotein ProT, which normally inhibits apoptosome formation. By inhibiting ProT, PETCM stimulates apoptosome formation and subsequent caspase-3 activation in a cytochrome c-dependent manner. The compound promotes Apaf-1 oligomerization, a key step in apoptosome assembly. This mechanism makes PETCM a valuable tool for studying the intrinsic apoptosis pathway. |
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| ln Vitro |
In a dose-dependent manner, PETCM (0.1–0.5 mM) increases the caspase-3 activity (DEVD activity) of HeLa S-100. Furthermore, 0.2 mM PETCM is more effective in activating caspase-3 than 1 mM dATP[1]. Apoptosome formation is stimulated by PETCM (0.2 mM; 1 hour). In a typical HeLa cell S-100 fraction, Apaf-1 exists as an inactive monomeric form. When exposed to 1 mM dATP, the majority of Apaf-1 shifted to a 1 million dalton size. Similar shift is seen in Apaf-1 after the S-100 fraction with 0.2 mM PETCM. Additionally, using 0.2 mM PETCM improved the efficiency of apoptosome formation[1]. The inhibitory effect of ProT decreased caspase-3 activation in HeLa cells can be countered by PETCM (0.2 mM; 1 hour)[1].
In vitro, PETCM has been shown to activate caspase-3 and promote apoptosome formation in HeLa cell cytosol. The compound acts in a cytochrome c-dependent manner and promotes Apaf-1 oligomerization. PETCM induces cell apoptosis in HeLa cells. These in vitro studies demonstrate the compound's potential for studying the regulation of apoptosis and for developing pro-apoptotic therapies. |
| ln Vivo |
In vivo, PETCM has been studied for its potential to induce apoptosis in various settings. The compound's ability to activate caspase-3 and promote apoptosome formation suggests potential therapeutic applications for conditions where apoptosis is dysregulated. Further in vivo studies are needed to evaluate its efficacy and safety.
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| Enzyme Assay |
The in vitro assay for PETCM measures its ability to activate caspase-3 and promote apoptosome formation. Apoptosome formation is assessed using cell-free systems with HeLa cell cytosol, cytochrome c, and dATP. Caspase-3 activation is measured using fluorogenic substrates (e.g., Ac-DEVD-AMC). Apaf-1 oligomerization is assessed by crosslinking or size-exclusion chromatography. The compound's activity is evaluated in a dose-dependent manner.
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: HeLa cells Tested Concentrations: 0.2 mM Incubation Duration: 1 hour Experimental Results: Increased apoptosome formation. In vitro cellular studies are conducted using HeLa cells and other cell lines. Cells are treated with PETCM at various concentrations (typically μM ranges) for defined time periods. Apoptosis is measured by caspase-3 activity assays, Annexin V/PI staining, or DNA fragmentation assays. Apaf-1 oligomerization is assessed by immunoprecipitation or crosslinking studies. Cell viability is assessed using standard cytotoxicity assays. |
| Animal Protocol |
In vivo animal experiments with PETCM are limited. The compound is primarily used in cell-based and cell-free systems for studying apoptosis mechanisms. Further in vivo studies are needed to evaluate its therapeutic potential.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PETCM include its solubility. The compound has a molecular weight of 240.52 g/mol and molecular formula C8H8Cl3NO. It has the SMILES OC(Cc1ccncc1)C(Cl)(Cl)Cl. Storage conditions should follow the manufacturer's recommendations. The compound should be protected from light and moisture.
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| Toxicity/Toxicokinetics |
PETCM is also known as 1,1,1-Trichloro-3-(pyridin-4-yl)propan-2-ol and 1-(trichloromethyl)-2-(4-pyridine)ethanol. It is an activator of caspase-3 that acts in a cytochrome c-dependent manner by promoting Apaf-1 oligomerization and apoptosome formation. PETCM induces cell apoptosis in HeLa cells and is used in apoptosis research to study the caspase signaling pathway and the regulation of apoptosome formation. It has the molecular formula C8H8Cl3NO and molecular weight of 240.52 g/mol.
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| References | |
| Additional Infomation |
1,1,1-Trichloro-3-pyridin-4-yl-2-propanol is a member of the pyridine class of compounds.
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| Molecular Formula |
C8H8CL3NO
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|---|---|
| Molecular Weight |
240.51
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| Exact Mass |
238.967
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| CAS # |
10129-56-3
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| PubChem CID |
224859
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| Appearance |
Light yellow to light brown solid powder
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| Density |
1.465g/cm3
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| Boiling Point |
342.2ºC at 760mmHg
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| Flash Point |
160.8ºC
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| Vapour Pressure |
2.94E-05mmHg at 25°C
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| Index of Refraction |
1.579
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| LogP |
2.355
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
13
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| Complexity |
154
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
NGTDJJKTGRNNAU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H8Cl3NO/c9-8(10,11)7(13)5-6-1-3-12-4-2-6/h1-4,7,13H,5H2
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| Chemical Name |
1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol
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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 : 100 mg/mL (415.78 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.39 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (10.39 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (10.39 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.1578 mL | 20.7892 mL | 41.5783 mL | |
| 5 mM | 0.8316 mL | 4.1578 mL | 8.3157 mL | |
| 10 mM | 0.4158 mL | 2.0789 mL | 4.1578 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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