Hyodeoxycholic acid

Modify Date: 2026-06-29 19:02:56

Hyodeoxycholic acid Structure
Hyodeoxycholic acid structure
 Common Name Hyodeoxycholic acid
CAS Number 83-49-8 Molecular Weight 392.572
Density 1.1±0.1 g/cm3 Boiling Point 547.1±25.0 °C at 760 mmHg
Molecular Formula C24H40O4 Melting Point 200-201 °C(lit.)
MSDS Chinese USA Flash Point 298.8±19.7 °C

 Use of Hyodeoxycholic acid


Hyodeoxycholic acid is a secondary bile acid formed in the small intestine by the gut flora, and acts as a TGR5 (GPCR19) agonist, with an EC50 of 31.6 µM in CHO cells.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name hyodeoxycholic acid
Synonym More Synonyms

 Hyodeoxycholic acid Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Hyodeoxycholic acid is a secondary bile acid formed in the small intestine by the gut flora, and acts as a TGR5 (GPCR19) agonist, with an EC50 of 31.6 µM in CHO cells.
Related Catalog
Target

Human Endogenous Metabolite

In Vitro Hyodeoxycholic acid is a secondary hydrophilic bile acid formed in the small intestine by the gut flora, and acts as an agonist of TGR5, with an EC50 of 31.6 µM in CHO cells[1]. Hyodeoxycholic acid (50, 100 μM) increases the expression of genes (Abca1, Abcg1, and Apoe) involved in cholesterol efflux in RAW 264.7 cells[2].
In Vivo Hyodeoxycholic acid (HDCA; 1.25% (wt/wt)) obviously decreases fat mass and increases lean mass but does not raise the serum levels of any organ toxicity markers in LDLRKO mice. Hyodeoxycholic acid inhibits atherosclerotic lesion formation in LDLRKO at multiple sites, improves plasma lipoprotein profiles, decreases plasma glucose level and intestinal cholesterol absorption efficiency and increases daily cholesterol excretion through fecal output. Hyodeoxycholic acid also improves HDL function as measured by a cholesterol efflux assay[2].
Animal Admin Mice[2] For atherosclerosis studies, 8-wk-old female LDLRKO mice are fed a Western diet (21% fat, 0.15% cholesterol; TD.88137) for 8 wk. One group of mice (baseline group) is euthanized at this time point for lesion measurement in the aortic root region and in the innominate artery. Atherosclerotic lesion in the whole aorta is not examined in the baseline group. The remaining mice are then divided into 2 groups and fed the following diets for another 15 wk before euthanasia: group 1, chow diet (5% fat, AIN-76A Rodent Diet); and group 2, chow diet + 1.25% (wt/wt) Hyodeoxycholic acid. For other studies, 8-wk-old female LDLRKO mice are fed a chow diet or chow diet + 1.25% Hyodeoxycholic acid for 3 wk before phenotype measurements. Food consumption and body weight are recorded weekly. Animals are measured for total body fat mass and lean mass by magnetic resonance imaging (MRI) using Bruker Minispec with software from Eco Medical Systems[2].
References

[1]. Sato H, et al. Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies. J Med Chem. 2008 Mar 27;51(6):1831-41.

[2]. Shih DM, et al. Hyodeoxycholic acid improves HDL function and inhibits atherosclerotic lesion formation in LDLR-knockout mice. FASEB J. 2013 Sep;27(9):3805-17.

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.1±0.1 g/cm3
Boiling Point 547.1±25.0 °C at 760 mmHg
Melting Point 200-201 °C(lit.)
Molecular Formula C24H40O4
Molecular Weight 392.572
Flash Point 298.8±19.7 °C
Exact Mass 392.292664
PSA 77.76000
LogP 5.00
Vapour Pressure 0.0±3.3 mmHg at 25°C
Index of Refraction 1.543
InChIKey DGABKXLVXPYZII-SIBKNCMHSA-N
SMILES CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
Storage condition Refrigerator

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FZ2050000
CHEMICAL NAME :
5-beta-Cholan-24-oic acid, 3-alpha,6-alpha-dihydroxy-
CAS REGISTRY NUMBER :
83-49-8
BEILSTEIN REFERENCE NO. :
3218394
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H40-O4
MOLECULAR WEIGHT :
392.64

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Yeast - Saccharomyces cerevisiae
DOSE/DURATION :
5600 umol/L
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 60,192,1987

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn
Risk Phrases R36/37/38:Irritating to eyes, respiratory system and skin . R40:Limited evidence of a carcinogenic effect.
Safety Phrases S26-S36/37/39
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS FZ2050000

 Articles33

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Quantification of 15 bile acids in lake charr feces by ultra-high performance liquid chromatography-tandem mass spectrometry.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 1001 , 27-34, (2015)

Many fishes are hypothesized to use bile acids (BAs) as chemical cues, yet quantification of BAs in biological samples and the required methods remain limited. Here, we present an UHPLC-MS/MS method f...

Evaluation of cynomolgus monkeys for the identification of endogenous biomarkers for hepatic transporter inhibition and as a translatable model to predict pharmacokinetic interactions with statins in humans.

Drug Metab. Dispos. 43 , 851-63, (2015)

Inhibition of hepatic transporters such as organic anion transporting polypeptides (OATPs) 1B can cause drug-drug interactions (DDIs). Determining the impact of perpetrator drugs on the plasma exposur...

Bile diversion to the distal small intestine has comparable metabolic benefits to bariatric surgery.

Nat. Commun. 6 , 7715, (2015)

Roux-en-Y gastric bypass (RYGB) is highly effective in reversing obesity and associated diabetes. Recent observations in humans suggest a contributing role of increased circulating bile acids in media...

 Hyodeoxycholic acidBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (...
Source: NCGC
External Id: IP6K1-p1
Name: Cytotoxicity against human WI38 cells by MTT assay
Source: ChEMBL
Target: N/A
External Id: CHEMBL3592363
Name: Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstream fo...
Source: ChEMBL
Target: Trypanosoma brucei brucei
External Id: CHEMBL3592364
Name: Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as reduction in pa...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL3592467
Name: Cytotoxicity against human WI38 cells assessed as inhibition of cell growth at 20 ug/...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3592638
Name: TP_TRANSPORTER: uptake in Oatp1-expressing HeLa cells
Source: ChEMBL
Target: Solute carrier organic anion transporter family member 1A1
External Id: CHEMBL2078572
Name: Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstream fo...
Source: ChEMBL
Target: Trypanosoma brucei brucei
External Id: CHEMBL3592639
Name: Cytotoxicity against human WI38 cells assessed as inhibition of cell growth at 100 ug...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3592637
Name: qHTS assay to identify novel small-molecules to repurpose for Merkel cell carcinoma t...
Source: NCGC
Target: N/A
External Id: MCC011
Name: Primary qHTS for Identification of Calcium Integrin Binding Protein 1 (CIB1) Competit...
Source: NCGC
External Id: CIB1-p1-p2
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Hyodeoxycholic
MFCD00003681
Iodeoxycholic acid
EINECS 201-483-2
HYODEOXYCHOLANIC ACID
HYODESOXYCHOLIC ACID
HYDROCHOLIC ACID
7-deoxyhyocholicacid
HDCA
Pig deoxybile acid
Hyodeoxycholic acid

 Hyodeoxycholic acid | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the LogP of hyodeoxycholic acid?
A: LogP of hyodeoxycholic acid is 5.00.
Q: What is the polar surface area (PSA) of hyodeoxycholic acid?
A: Polar surface area (PSA) of hyodeoxycholic acid is 77.76000.
Q: What is the melting point of hyodeoxycholic acid?
A: Melting point of hyodeoxycholic acid is 200-201 °C(lit.).
Q: What is the molecular formula of hyodeoxycholic acid?
A: Molecular formula of hyodeoxycholic acid is C24H40O4.
Q: What is the InChIKey of hyodeoxycholic acid?
A: InChIKey of hyodeoxycholic acid is DGABKXLVXPYZII-SIBKNCMHSA-N.
Q: What is the SMILES notation of hyodeoxycholic acid?
A: SMILES notation of hyodeoxycholic acid is CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C.
Q: What is the English name of hyodeoxycholic acid?
A: The English name of hyodeoxycholic acid is hyodeoxycholic acid.
Q: What are the storage conditions for hyodeoxycholic acid?
A: Storage conditions for hyodeoxycholic acid: Refrigerator.
Q: What is the safety information for hyodeoxycholic acid?
A: Safety information for hyodeoxycholic acid: S26-S36/37/39.
Q: What is the boiling point of hyodeoxycholic acid?
A: Boiling point of hyodeoxycholic acid is 547.1±25.0 °C at 760 mmHg.

 Hyodeoxycholic acidfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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Chemsrc provides Hyodeoxycholic acid(CAS#:83-49-8) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of Hyodeoxycholic acid are included as well.>> amp version: Hyodeoxycholic acid

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