| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Endogenous metabolite; likely involved with bile acid receptors (FXR, TGR5). Bile acids are steroid acids found predominantly in bile, playing crucial roles in lipid digestion and absorption, cholesterol homeostasis, and signaling through nuclear receptors (FXR, PXR) and G protein-coupled receptors (TGR5).
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| ln Vitro |
Endogenous metabolite and bile acid derivative. Formed from cholesterol metabolism in the liver, plays role in lipid digestion and absorption. Present in urine of hepatobiliary disease patients, suggesting biomarker potential. May act as signaling molecule via FXR and TGR5, regulating lipid, glucose, and energy metabolism.
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| ln Vivo |
Endogenous metabolite present in urine of hepatobiliary disease patients, serving as potential biomarker for hepatobiliary dysfunction. Formed from cholesterol metabolism, plays role in lipid digestion/absorption. Human metabolite. In animal models, bile acid derivatives reflect hepatic and intestinal function through enterohepatic circulation.
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| Enzyme Assay |
No specific binding protocol. For bile acid analysis: (1) Extract bile acids from plasma, urine, or liver by SPE or liquid-liquid extraction. (2) LC-MS/MS on C18 column (2.1×100 mm, 1.7 um) with gradient elution (20-80% methanol in 10 mM ammonium acetate). (3) ESI-MS/MS negative mode, MRM m/z 369→369 (or 369→341). (4) Use deuterated bile acid internal standard (e.g., cholic acid-d4). (5) For FXR activation: HEK293T cells co-transfected with pGL4-FXR-Luc and pRL-TK, treat with compound 0.1-100 uM for 24 h, dual luciferase assay.
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| Cell Assay |
(1) Seed hepatocytes (primary human or HepG2) in 6-well plates. (2) Treat with 3-Oxo-4,6-choladien-24-oic acid (0.1-100 uM) for 6-24 h. (3) For FXR activation: transfect with FXR expression plasmid and luciferase reporter, treat 1-100 uM for 24 h, measure luciferase. (4) For gene expression: treat 1-10 uM for 6-12 h, isolate RNA, qPCR for FXR target genes (SHP, OSTalpha, BSEP, CYP7A1).
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| Animal Protocol |
(1) For biomarker studies: use 6-8 week old male mice/rats with hepatobiliary disease models: bile duct ligation (BDL), CCl4-induced fibrosis, or choline-deficient diet. (2) Collect plasma and 24-h urine. (3) To 50-100 uL sample, add IS (cholic acid-d4), dilute, SPE on C18. (4) Elute with methanol, evaporate, reconstitute, LC-MS/MS. (5) Quantify compound and other bile acids. (6) Correlate levels with liver injury markers (ALT, AST, ALP, bilirubin) and histopathology (H&E, Sirius Red).
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| ADME/Pharmacokinetics |
Soluble in DMSO (≥10 mg/mL) and ethanol. For in vitro, prepare 10-100 mM stock in DMSO. For in vivo in liver disease models, dissolve in 10% DMSO/40% PEG300/5% Tween-80/45% saline for IP, or corn oil for PO. Storage: powder at -20degC for 3 years, protect from light.
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| Toxicity/Toxicokinetics |
Endogenous bile acid metabolite, non-toxic at physiological concentrations (low nM-uM in plasma). Elevated levels in cholestatic liver diseases may contribute to hepatocyte injury, inflammation, and fibrosis due to detergent properties and activation of cell death receptors (via TGR5 and mitochondrial apoptosis). For research use only.
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| References | |
| Additional Infomation |
3-O-cholest-4,6-diene-24-acid is a 3-oxo-Δ⁴ steroid compound, a 3-oxo derivative of cholesterol-4,6-diene-24-acid. It is a human metabolite. It is a 3-oxo-Δ⁴ steroid compound and also a bile acid. Functionally, it is related to cholesterol-4,6-diene-24-acid. It is the conjugate acid of 3-oxo-cholest-4,6-diene-24-acid. 3-O-cholest-4,6-diene-24-acid has been reported to exist in cattle (Bos taurus) and monitor lizards (Deltocyathus magnificus), and relevant data exist.
3-Oxo-4,6-choladien-24-oic acid is an endogenous steroidal bile acid metabolite formed from cholesterol in the liver. Bile acids are essential for fat emulsification and absorption, and act as signaling molecules via FXR and TGR5, regulating lipid, glucose, and energy metabolism. Found in urine of patients with hepatobiliary disease (cholestasis, cirrhosis), suggesting potential diagnostic biomarker. Not a drug; strictly for research in bile acid metabolism, hepatobiliary diseases, and biomarker discovery. |
| Molecular Formula |
C24H34O3
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|---|---|
| Molecular Weight |
370.52
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| Exact Mass |
370.251
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| CAS # |
88179-71-9
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| PubChem CID |
5283992
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| Appearance |
White to light yellow solid powder
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| LogP |
5.411
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
27
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| Complexity |
704
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| Defined Atom Stereocenter Count |
7
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| SMILES |
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C
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| InChi Key |
CREVIXFSUWYGRJ-IHMUCKAYSA-N
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| InChi Code |
InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5-6,14-15,18-21H,4,7-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,23+,24-/m1/s1
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| Chemical Name |
(4R)-4-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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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 :~25 mg/mL (~67.47 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.75 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (6.75 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (6.75 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 | 2.6989 mL | 13.4945 mL | 26.9891 mL | |
| 5 mM | 0.5398 mL | 2.6989 mL | 5.3978 mL | |
| 10 mM | 0.2699 mL | 1.3495 mL | 2.6989 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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