| Targets |
Dehydrocholate sodium targets amylases and lipase enzymes. It modulates autophagy pathways and has effects on biliary lipid secretion. The compound's mechanism involves promoting bile flow and reducing the secretion of endogenous and exogenous biliary bile acids and biliary lipids. It is used in the study of acute biliary pancreatitis and obstructive jaundice.
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|---|---|
| ln Vitro |
In vitro, dehydrocholate sodium (50-200 μM, 50 min) reduces the necrosis of pancreatic acinar cells induced by sodium taurocholate. It modulates autophagy and has effects on cellular metabolism. The compound's ability to reduce cellular damage in pancreatic acinar cells demonstrates its potential protective effects in the context of biliary pancreatitis.
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| ln Vivo |
In vivo, dehydrocholate sodium (25-50 mg/kg, i.p.) alleviates the severity of sodium taurocholate-induced acute biliary pancreatitis in C57BL/6 mice, reducing pancreatic histopathological alterations, serum amylase and lipase levels, and suppressing pancreatic trypsin and MPO activities. It also increases bile flow and reduces the secretion of biliary bile acids and lipids in rats at 1-4 μmol/min/100g BW via intravenous infusion.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for dehydrocholate sodium typically involve studying its effects on amylase and lipase activities. The compound is incubated with enzyme preparations or cell lysates containing these enzymes, and activity is measured using colorimetric or fluorometric substrate assays. Inhibition or modulation of enzyme activity is quantified and compared to control samples to determine the compound's potency.
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| Cell Assay |
In vitro cell-based assays for dehydrocholate sodium typically employ pancreatic acinar cells. Cells are cultured and treated with the compound (50-200 μM) for 50 minutes in the presence of sodium taurocholate to induce necrosis. Cell viability is assessed using standard assays such as MTT or LDH release. The compound's protective effect against cell necrosis is evaluated by comparing treated versus untreated cells.
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| Animal Protocol |
In vivo animal studies with dehydrocholate sodium have been conducted in mouse and rat models. In C57BL/6 mice, the compound is administered intraperitoneally at 25-50 mg/kg at 1, 3, and 6 hours after surgery for sodium taurocholate-induced acute biliary pancreatitis. In rats, it is administered via intravenous infusion at 1-4 μmol/min/100g BW. Endpoints include bile flow measurement, serum amylase and lipase levels, pancreatic histopathology, and trypsin and MPO activities.
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| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of dehydrocholate sodium indicate it is orally active. In rats, it is administered intravenously at 1-4 μmol/min/100g BW. The compound is soluble in water (50 mg/mL) and DMSO (20.83 mg/mL). Specific PK parameters such as half-life, Cₘₐₓ, and bioavailability have not been detailed in the available literature.
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| Toxicity/Toxicokinetics |
The toxicity profile of dehydrocholate sodium has not been extensively characterized in preclinical studies. The compound is a bile acid derivative and is generally considered to have low toxicity for its indicated applications. No specific acute toxicity, genotoxicity, or chronic toxicity data are available in the provided literature. The compound is intended for research use only.
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| Additional Infomation |
Sodium dehydrocholate is a bile acid. It is a semi-synthetic bile acid made from bile acids. It can be used as a choleretic, diuretic, and diagnostic aid.
Dehydrocholate sodium is a research-grade hydrocholeretic agent used in the study of acute biliary pancreatitis, obstructive jaundice, and liver protection. It is not an approved therapeutic drug and has no clinical trial history. The compound is supplied as a powder with purity ≥98% and should be stored at 4°C. Synonyms include Sodium dehydrocholate and Dehydrocholic acid sodium. |
| Molecular Formula |
C24H33NAO5
|
|---|---|
| Molecular Weight |
424.5056
|
| Exact Mass |
424.222
|
| CAS # |
145-41-5
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| Related CAS # |
81-23-2 (Parent)
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| PubChem CID |
23675007
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| Appearance |
White to off-white solid powder
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| Boiling Point |
581.5ºC at 760mmHg
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| Melting Point |
>300°C
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| Flash Point |
319.5ºC
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| Index of Refraction |
27 ° (C=5, H2O)
|
| LogP |
2.738
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
30
|
| Complexity |
763
|
| Defined Atom Stereocenter Count |
8
|
| SMILES |
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C.[Na+]
|
| InChi Key |
FKJIJBSJQSMPTI-CAOXKPNISA-M
|
| InChi Code |
InChI=1S/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1
|
| Chemical Name |
sodium;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
H2O : ~50 mg/mL (~117.78 mM)
DMSO : ~20.83 mg/mL (~49.07 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.89 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 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 (5.89 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 (5.89 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 33.33 mg/mL (78.51 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3557 mL | 11.7783 mL | 23.5566 mL | |
| 5 mM | 0.4711 mL | 2.3557 mL | 4.7113 mL | |
| 10 mM | 0.2356 mL | 1.1778 mL | 2.3557 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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