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| Other Sizes |
| Targets |
Paroxypropione targets the hypothalamic-pituitary-gonadal axis, acting as an antigonadotropin. As a nonsteroidal estrogen, it likely exerts its effects by binding to estrogen receptors, which leads to feedback inhibition of gonadotropin-releasing hormone (GnRH) and subsequently reduces the secretion of luteinizing hormone (LH) and follicle-stimulating hormone (FSH) from the pituitary gland. This mechanism reduces gonadal function and sex hormone production. The compound's structure is similar to other alkyl-phenylketones.
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| ln Vitro |
In vitro, Paroxypropione's activity as an estrogen and antigonadotropin would be assessed using receptor binding assays and cell-based reporter gene assays. It would bind to estrogen receptors (ERα and ERβ) in a competitive binding assay. In cell-based assays, it would activate estrogen-responsive elements (EREs) to drive the expression of a reporter gene, confirming its estrogenic activity. Its antigonadotropic effects would be studied in pituitary cell lines by measuring its effects on gonadotropin secretion.
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| ln Vivo |
In vivo, Paroxypropione has been used medically as an antigonadotropin. By reducing gonadotropin levels, it can suppress gonadal function and sex hormone production. This effect has been utilized in the treatment of conditions such as endometriosis, uterine fibroids, and precocious puberty. Its use in clinical practice is limited, and it has been largely replaced by more modern and effective agents such as GnRH agonists and antagonists.
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| Enzyme Assay |
In vitro non-cell enzyme/receptor binding assays for Paroxypropione involve measuring its affinity for estrogen receptors (ERα and ERβ). Membrane preparations or purified receptors are incubated with the compound and a radiolabeled ligand (e.g., [³H]estradiol). The displacement of the radiolabeled ligand is measured to determine the compound's binding affinity (Ki). Its estrogenic activity can be assessed using a cell-free transcription assay.
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| Cell Assay |
In vitro cell-based assays for Paroxypropione use cell lines expressing estrogen receptors, such as MCF-7 breast cancer cells. Cells are treated with the compound, and its ability to stimulate cell proliferation (an estrogenic effect) or to activate an estrogen-responsive reporter gene is measured. Its antigonadotropic activity can be studied in pituitary cell lines by measuring its effects on LH and FSH secretion.
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| Animal Protocol |
In vivo animal studies for Paroxypropione would involve administering the compound to animal models to study its effects on the reproductive system. For example, its ability to reduce gonadotropin levels and suppress gonadal function would be assessed in rodents. Its effects on estrus cycles, uterine weight, and hormone levels would be measured. These studies would help to characterize its pharmacological profile and potential clinical applications.
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| ADME/Pharmacokinetics |
Paroxypropione has a molecular weight of 150.17 g/mol and a molecular formula of C₉H₁₀O₂. It is a white to off-white powder. One part dissolves in 2896 parts of water at 15°C and in 30 parts at 100°C. It is soluble in organic solvents. The compound should be stored in a cool, dry place, protected from light.
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| Toxicity/Toxicokinetics |
The toxicity profile of Paroxypropione is not extensively detailed in the available literature. As a nonsteroidal estrogen, it may have similar side effects to other estrogens, including an increased risk of thromboembolic events, fluid retention, and breast tenderness. It is a potential carcinogen, like other estrogens. The compound is not intended for human therapeutic use without appropriate medical supervision.
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| Additional Infomation |
p-Hydroxyacetone is a phenylacetone compound. It has been reported that p-hydroxyacetone has been found in frangipani, Chinese pecan, and Anham arborescens, and relevant data are available.
Paroxypropione is a synthetic, nonsteroidal estrogen and antigonadotropin. It has been used medically to reduce gonadotropin levels. It is also known as p-Hydroxypropiophenone. The compound's clinical use is limited, and it has been largely superseded by more modern agents. It is not approved for clinical use in many countries. |
| Molecular Formula |
C9H10O2
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|---|---|
| Molecular Weight |
150.1745
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| Exact Mass |
150.068
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| CAS # |
70-70-2
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| PubChem CID |
6271
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
152-154 °C26 mm Hg(lit.)
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| Melting Point |
36-38 °C(lit.)
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| Flash Point |
>230 °F
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.542
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| LogP |
1.96
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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 |
11
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| Complexity |
135
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C([H])([H])C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[H])O[H]
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| InChi Key |
RARSHUDCJQSEFJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H10O2/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
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| Chemical Name |
1-(4-hydroxyphenyl)propan-1-one
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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 (~665.91 mM)
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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 | 6.6591 mL | 33.2956 mL | 66.5912 mL | |
| 5 mM | 1.3318 mL | 6.6591 mL | 13.3182 mL | |
| 10 mM | 0.6659 mL | 3.3296 mL | 6.6591 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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