| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
AC45594 selectively targets the orphan nuclear receptor steroidogenic factor-1 (SF-1, NR5A1). It acts as an inverse agonist at this receptor with an IC50 of 50-100 nM. It displays no significant activity at estrogen receptor, LRH-1, ROR, ERR, or Nurr receptors, indicating high selectivity for SF-1.
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| ln Vitro |
In cell-free assays, AC45594 inhibits SFRE (SF-1 response element)-mediated transcription. It shows inverse agonist activity by suppressing the constitutive transcriptional activity of SF-1. The compound has an IC50 of 50-100 nM for SF-1 in biochemical assays and does not activate other nuclear receptors tested.
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| ln Vivo |
In cellular models, AC45594 increases the secretion of progesterone and oxytocin and upregulates the expression of oxytocin precursor mRNA in luteal cells. It inhibits the proliferation of adrenocortical carcinoma cells through SF-1 inverse agonism. The compound modulates steroidogenic enzyme activity in adrenocortical H295R cells.
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| Enzyme Assay |
The in vitro enzyme/receptor binding assay typically involves competitive binding experiments using radiolabeled ligands or fluorescence-based polarization assays with purified SF-1 protein. IC50 values are determined by measuring the displacement of a tracer from the receptor in cell-free systems. Assays are performed in buffer systems optimized for nuclear receptor binding, with incubation at room temperature for 1-2 hours followed by detection using plate readers.
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| Cell Assay |
Cellular assays use adrenocortical H295R cells or luteal cells cultured in appropriate media. Cells are treated with AC45594 at varying concentrations (typically 0.1-100 µM) for 24-48 hours. Endpoints include measurement of steroid hormone secretion by ELISA, quantification of mRNA expression by qRT-PCR, and assessment of cell proliferation by MTT or similar assays.
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| Animal Protocol |
In vivo studies have been conducted in cholemic mouse models where AC45594 modulates steroidogenesis. The compound is typically administered via intraperitoneal injection at doses ranging from 1-10 mg/kg. Endpoints include measurement of serum cortisol and other steroid hormone levels, as well as analysis of adrenal tissue for gene expression changes.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for AC45594 are not extensively characterized in the literature. As a small lipophilic molecule (MW 208.3, C₁₃H₂₀O₂), it is expected to have good membrane permeability. The compound is typically stored at +4°C as a powder and is soluble in organic solvents. Further PK studies would be required for detailed absorption, distribution, metabolism, and excretion profiling.
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| Toxicity/Toxicokinetics |
Toxicological data for AC45594 are limited to in vitro cell-based assays. No significant cytotoxicity has been reported at concentrations up to 10 µM in adrenocortical carcinoma cell lines. The compound is intended for laboratory research use only and is not approved for human therapeutic applications.
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| Additional Infomation |
4-Heptyloxyphenol is an aromatic ether.
AC45594 (4-Heptyloxyphenol, CAS 13037-86-0) has a molecular weight of 208.3 and formula C₁₃H₂₀O₂. It was first identified as a synthetic SF-1 inverse agonist in 2008. The compound has been used in studies of adrenocortical carcinoma, castration-resistant prostate cancer, and steroidogenic disorders. It remains an investigational research tool without clinical development. |
| Molecular Formula |
C13H20O2
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|---|---|
| Molecular Weight |
208.3
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| Exact Mass |
208.146
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| CAS # |
13037-86-0
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| Related CAS # |
13037-86-0;
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| PubChem CID |
25641
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| Appearance |
White to off-white solid powder
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
325.3±15.0 °C at 760 mmHg
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| Melting Point |
60-63 °C(lit.)
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| Flash Point |
144.8±5.3 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.506
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| LogP |
4.5
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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 |
7
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| Heavy Atom Count |
15
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| Complexity |
140
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCCCOC1=CC=C(C=C1)O
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| InChi Key |
HZBABTUFXQLADL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3
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| Chemical Name |
4-heptoxyphenol
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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 | 4.8008 mL | 24.0038 mL | 48.0077 mL | |
| 5 mM | 0.9602 mL | 4.8008 mL | 9.6015 mL | |
| 10 mM | 0.4801 mL | 2.4004 mL | 4.8008 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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