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| 50mg |
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| Targets |
The primary target of PPT is the estrogen receptor alpha (ERα). It acts as a selective agonist, binding to ERα with high affinity and selectivity over ERβ. The compound's relative binding affinity for ERα is 49%, which is approximately 410 times higher compared to ERβ (0.12%).
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| ln Vitro |
Propylpyrazotriol's ERα-dependent response in ERα-U2OS-Luc cells had an EC50 of 140 pM [1].
In vitro, PPT has been shown to be a potent and selective agonist of ERα. It binds to ERα with high affinity and activates ERα-mediated gene expression. The compound's selectivity for ERα over ERβ has been confirmed in various in vitro models. |
| ln Vivo |
In vivo, PPT prevents ovariectomy-induced weight gain and loss of bone mineral density. It induces gene expression in the hypothalamus following systemic administration. The compound's effects on estrogen receptor signaling have been demonstrated in various animal models.
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| Enzyme Assay |
In vitro enzyme or receptor binding assays for PPT involve studying its binding affinity for ERα and ERβ. Radioligand binding assays are performed using purified ERα or ERβ proteins or cell lysates expressing the receptors. The compound is incubated with a radiolabeled ligand, such as [3H]estradiol, and the displacement of the ligand is measured to determine the relative binding affinity.
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| Cell Assay |
In vitro cell-based assays for PPT are performed using estrogen-responsive cell lines, such as MCF-7 breast cancer cells. Cells are treated with the compound, and cell proliferation and estrogen-responsive gene expression are measured. The compound's effects on ERα-mediated signaling are assessed.
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| Animal Protocol |
In vivo animal experiments for PPT are conducted using ovariectomized mouse models. The compound is administered systemically, and body weight, bone mineral density, and hypothalamic gene expression are assessed. These studies confirm the compound's efficacy as an ERα agonist.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of PPT indicate that it has a molecular weight of 386.44 and a molecular formula of C24H22N2O3. The CAS number is 263717-53-9. The compound is a solid at room temperature. It is soluble in DMSO and other organic solvents. Storage at -20°C is recommended.
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| Toxicity/Toxicokinetics |
Toxicology (toxicology) data for PPT are limited. As a selective ERα agonist, its safety profile is an important consideration. The compound is generally well-tolerated at effective doses in preclinical models. However, its long-term safety profile requires further evaluation.
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| References | |
| Additional Infomation |
4,4',4''-(4-propylpyrazole-1,3,5-triyl)triol is a pyrazole compound with a 4-hydroxyphenyl substituent at positions 1, 3, and 5 of its 1H-pyrazole ring, and a propyl substituent at position 4. It is a potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM), exhibiting 410-fold greater selectivity for ERα than for ERβ. This compound can prevent weight gain and bone mineral density loss induced by oophorectomy and can induce hypothalamic gene expression after systemic administration. It is an estrogen receptor agonist. It belongs to the pyrazole and phenolic classes of compounds.
Other information: PPT is also known as Propyl pyrazole triol. It is a potent and selective ERα agonist with 410-fold selectivity over ERβ. The compound is used in research to study estrogen receptor signaling. Its CAS number is 263717-53-9. |
| Molecular Formula |
C24H22N2O3
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|---|---|
| Molecular Weight |
386.45
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| Exact Mass |
386.163
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| CAS # |
263717-53-9
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| PubChem CID |
5040063
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
630.0±55.0 °C at 760 mmHg
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| Melting Point |
230 ºC (decomp)
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| Flash Point |
334.8±31.5 °C
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| Vapour Pressure |
0.0±1.9 mmHg at 25°C
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| Index of Refraction |
1.642
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| LogP |
5.95
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
29
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| Complexity |
494
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
IOTXSIGGFRQYKW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3
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| Chemical Name |
4-[2,5-bis(4-hydroxyphenyl)-4-propylpyrazol-3-yl]phenol
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| Synonyms |
Propyl pyrazole triol; PPT
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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 (~258.77 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 10 mg/mL (25.88 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 100.0 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 (6.47 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 (6.47 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 | 2.5877 mL | 12.9383 mL | 25.8766 mL | |
| 5 mM | 0.5175 mL | 2.5877 mL | 5.1753 mL | |
| 10 mM | 0.2588 mL | 1.2938 mL | 2.5877 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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