| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
Nordeoxycholic acid does not have a specific pharmacological target but is studied as a bile acid metabolite. Bile acids, including nordeoxycholic acid, interact with nuclear receptors such as FXR (farnesoid X receptor) and TGR5, as well as with the enterohepatic circulation system. As a hydrophobic bile acid, nordeoxycholic acid facilitates lipid dispersion and micelle formation, aiding in studies of bile acid-lipid interactions, solubilization dynamics, and lipid digestion mechanisms. Its levels are altered in metabolic conditions including non-alcoholic fatty liver disease (NAFLD).
|
|---|---|
| ln Vitro |
In vitro, nordeoxycholic acid is used as a reference standard and model compound for bile acid analysis. The compound is a substrate for LC-MS/MS measurement and serves as an internal standard for the quantification of related bile acid metabolites in biological samples. Its amphipathic properties facilitate lipid dispersion and micelle formation in biochemical assays. Nordeoxycholic acid is used in studies of bile acid metabolism, enterohepatic circulation, and lipid digestion. Its effects on cell lines and metabolic pathways are less well-characterized than those of primary bile acids.
|
| ln Vivo |
In vivo, nordeoxycholic acid is a naturally occurring bile acid metabolite. Levels of nordeoxycholic acid are decreased in the liver of rats in a high-fat diet model of non-alcoholic fatty liver disease (NAFLD). The compound is also measured in serum, plasma, tissue, and bile as part of metabolomic studies of bile acid profiles. Its presence and concentration reflect bile acid metabolism and enterohepatic circulation. Nordeoxycholic acid is not administered as a therapeutic agent but is studied as a biomarker of metabolic status.
|
| Enzyme Assay |
Non-cell-based assays for nordeoxycholic acid primarily involve analytical chemistry methods including LC-MS/MS and GC-MS for quantification in biological samples. The compound serves as a reliable internal standard for bile acid quantification across serum, plasma, tissue, and bile matrices. Calibration curves are generated using nordeoxycholic acid standards. The compound's chemical properties (molecular formula, mass, retention time) are characterized using mass spectrometry and NMR. Its solubility and surface activity are measured in lipid interaction studies.
|
| Cell Assay |
As a bile acid metabolite and analytical standard, nordeoxycholic acid is not typically used in standard cell-based assays. However, in the context of bile acid research, the compound may be tested on hepatocytes or intestinal cells to study its effects on bile acid receptors, transporter function, or lipid metabolism. Cell viability, FXR/TGR5 activation, and gene expression changes are measured. These studies are limited, and the compound is primarily used as an analytical standard rather than a bioactive compound for cellular studies.
|
| Animal Protocol |
Nordeoxycholic acid is not used as a therapeutic agent in animal experiments. It is used as an internal standard and biomarker in metabolomic studies. In animal models of NAFLD or metabolic disease, nordeoxycholic acid levels are measured in liver, serum, or bile samples to assess changes in bile acid metabolism. The compound is quantified by LC-MS/MS as part of a panel of bile acid metabolites. Pharmacodynamic studies may evaluate the effects of interventions on bile acid profiles including nordeoxycholic acid levels.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to nordeoxycholic acid as it is not a therapeutic agent. The compound is a naturally occurring metabolite with defined chemical properties. Its stability in biological samples, extraction efficiency, and chromatographic behavior are characterized for analytical applications. As a bile acid, its metabolism involves enterohepatic circulation, hepatic conjugation (taurine or glycine), and intestinal reabsorption. However, specific PK parameters for nordeoxycholic acid are not available as it is not a drug.
|
| Toxicity/Toxicokinetics |
The toxicity of nordeoxycholic acid has not been comprehensively evaluated as it is not a therapeutic agent. As a naturally occurring bile acid metabolite, it is present at low concentrations in mammalian systems and is generally considered to be well-tolerated. However, at elevated concentrations, hydrophobic bile acids can be cytotoxic and may contribute to cholestatic liver injury. Nordeoxycholic acid is handled as a chemical reagent with standard laboratory safety precautions. The compound is for research use only and is not intended for human consumption.
|
| References | |
| Additional Infomation |
23-Demethyldeoxycholic acid is a choline compound.
Nordeoxycholic acid (CAS# 53608-86-9) is a 23-carbon bile acid with the molecular formula C₂₃H₃₈O₄. It is a metabolite of norcholic acid and a human steroid metabolite. Nordeoxycholic acid is structurally related to deoxycholic acid and is a hydrophobic bile acid metabolite. It serves as a model compound and internal standard in LC-MS/MS measurement for bile acid quantification across various biological matrices. Levels of nordeoxycholic acid are decreased in the liver in high-fat diet models of NAFLD. The compound is available for research use only and is not approved as a therapeutic agent. |
| Molecular Formula |
C23H38O4
|
|---|---|
| Molecular Weight |
378.55
|
| Exact Mass |
378.277
|
| CAS # |
53608-86-9
|
| PubChem CID |
193905
|
| Appearance |
White to off-white solid powder
|
| Density |
1.142g/cm3
|
| Boiling Point |
536.7ºC at 760 mmHg
|
| Melting Point |
213.5-214.5ºC
|
| Flash Point |
292.4ºC
|
| Index of Refraction |
1.546
|
| LogP |
4.087
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
27
|
| Complexity |
591
|
| Defined Atom Stereocenter Count |
10
|
| SMILES |
C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
|
| InChi Key |
PLRQOCVIINWCFA-AHFDLSHQSA-N
|
| InChi Code |
InChI=1S/C23H38O4/c1-13(10-21(26)27)17-6-7-18-16-5-4-14-11-15(24)8-9-22(14,2)19(16)12-20(25)23(17,18)3/h13-20,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17-,18+,19+,20+,22+,23-/m1/s1
|
| Chemical Name |
(3R)-3-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
|
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
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
|
|---|---|
| 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 | 2.6417 mL | 13.2083 mL | 26.4166 mL | |
| 5 mM | 0.5283 mL | 2.6417 mL | 5.2833 mL | |
| 10 mM | 0.2642 mL | 1.3208 mL | 2.6417 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
