| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
| Targets |
CYP17A1
Abiraterone sulfate is a metabolite of abiraterone. Abiraterone targets CYP17A1, a key enzyme in androgen biosynthesis. The sulfate conjugate does not have significant pharmacological activity itself but is a major circulating metabolite. |
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| ln Vitro |
In vitro, abiraterone sulfate is the sulfate conjugate of abiraterone. It is used as a reference standard for the quantification of abiraterone metabolites in biological samples. It does not exhibit significant CYP17A1 inhibitory activity.
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| ln Vivo |
In this study, a rapid, simple and sensitive liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed and validated to simultaneously quantify abiraterone (ABI), a widely used anti-metastatic castration-resistant prostate cancer drug, and its metabolites comprising Δ4-abiraterone (D4A), 3-keto-5α-abiraterone (5αA), abiraterone N-oxide (A-NO), abiraterone sulfate (A-Sul) and abiraterone N-oxide sulfate (A-NO-Sul) in human plasma. The analytes were extracted by protein precipitation with acetonitrile and ideal chromatographic separation was achieved on ACE-C18 column (2.1 × 50 mm, 5 µm) using a gradient elution. Triple Quad™ 6500+ mass spectrometer equipped with an electrospray ionization (ESI) source was used and the multiple reaction mode (MRM) was performed. In terms of method validation, good linearity was observed in preassigned validated concentration range for each analyte of interest. Both intra- and inter-batch accuracy was within the range of 87.6-113.8% for all analytes, while intra- and inter-batch precision was below 14.0%. Additionally, both low matrix effects and high recovery were obtained. All analytes remained stable in human plasma at room temperature for 4 h, on wet ice for 8 h, at - 80 °C for 42 d, over three freeze-thaw cycles and under auto-sampler temperature (4 °C) for 48 h post sample preparation. Subsequently, the validated LC-MS/MS method was applied for pharmacokinetic study in healthy Chinese volunteers following an oral dose of 250 mg abiraterone acetate tablet under fasted conditions. Our study for the first time reported the pharmacokinetic parameters of the ABI metabolites in Chinese subjects.[1]
In vivo, abiraterone sulfate is a major metabolite of abiraterone. It is formed through phase II metabolism and circulates in the plasma. Its concentration is measured in pharmacokinetic studies to understand the disposition of abiraterone in patients. |
| Enzyme Assay |
In vitro assays for abiraterone sulfate typically involve its use as a reference standard in LC-MS methods. The compound is used to quantify the metabolite in plasma and tissue samples. Its formation can be studied using liver microsomes or recombinant sulfotransferases.
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| Cell Assay |
For in vitro cell assays, abiraterone sulfate is not typically used as a treatment. It is used as a standard in analytical chemistry. Cell-based assays may be used to study the metabolism of abiraterone, but the sulfate conjugate itself is primarily a marker compound.
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| Animal Protocol |
For in vivo animal studies, abiraterone sulfate is measured in plasma and tissue samples after administration of abiraterone. The compound is quantified by LC-MS to determine the pharmacokinetic parameters of the parent drug and its metabolite. Its contribution to the overall drug exposure is assessed.
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| ADME/Pharmacokinetics |
Abiraterone sulfate (MW 429.57) has the molecular formula C₂₄H₃₁NO₄S. It is a solid compound with a purity of 98%. It is stable under recommended storage conditions. It is soluble in DMSO and other organic solvents. It is also known as Abiraterone Impurity 29.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available for abiraterone sulfate. As a metabolite of abiraterone, its safety profile is expected to be related to the parent drug. Standard laboratory safety precautions should be followed.
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| References | |
| Additional Infomation |
Abiraterone sulfate (CAS# 1993430-25-3) is the sulfate conjugate metabolite of the CYP17A1 inhibitor abiraterone. It has not been approved as a therapeutic agent. The compound is used as a reference standard in pharmaceutical research and analytical method development for the quantification of abiraterone and its metabolites.
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| Molecular Formula |
C24H31NO4S
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|---|---|
| Molecular Weight |
429.57
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| Exact Mass |
429.197
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| CAS # |
1993430-25-3
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| PubChem CID |
91827106
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| Appearance |
White to off-white solid powder
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
30
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| Complexity |
859
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| Defined Atom Stereocenter Count |
6
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| SMILES |
[C@H]1(CC2=CC[C@]3([H])[C@@]([H])([C@]2(CC1)C)CC[C@]1([C@@]3([H])CC=C1C1C=CC=NC=1)C)OS(=O)(O)=O
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| InChi Key |
LUQSJWRTYLGZJB-VJLLXTKPSA-N
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| InChi Code |
InChI=1S/C24H31NO4S/c1-23-11-9-18(29-30(26,27)28)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3,(H,26,27,28)/t18-,19-,21-,22-,23-,24+/m0/s1
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| Chemical Name |
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
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| Synonyms |
Abiraterone sulfate; 1993430-25-3; WZ5U45K71V; ABIRATERONE METABOLITE M12;
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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 | 2.3279 mL | 11.6395 mL | 23.2791 mL | |
| 5 mM | 0.4656 mL | 2.3279 mL | 4.6558 mL | |
| 10 mM | 0.2328 mL | 1.1640 mL | 2.3279 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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