ChemicalBook CAS DataBase List 81-24-3

81-24-3

Name	TAUROCHOLIC ACID
CAS	81-24-3
EINECS(EC#)	201-336-2
Molecular Formula	C26H45NO7S
MDL Number	MFCD00053458
Molecular Weight	515.7
MOL File	81-24-3.mol

Chemical Properties

Melting point	125°C (rough estimate)
alpha	D18 +38.8° (c = 2 in alcohol)
density	1.0902 (rough estimate)
refractive index	1.5650 (estimate)
storage temp.	Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility	Ethanol (Slightly), Methanol (Slightly)
form	Solid
pka	1.4(at 25℃)
color	White to Off-White
Stability:	Hygroscopic
InChIKey	WBWWGRHZICKQGZ-HUIPPMCRNA-N
LogP	0.247 (est)
EPA Substance Registry System	Ethanesulfonic acid, 2-[[(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]- (81-24-3)

Safety Data

Symbol(GHS)	GHS02,GHS08
Signal word	Danger
TSCA	TSCA listed
Hazardous Substances Data	81-24-3(Hazardous Substances Data)
Toxicity	LD50 in newborn rats: 380 mg/kg (Klaassen) less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Crystals. Stable in air. Freely soluble in water; soluble in alcohol, almost insoluble in ether and ethyl acetate.

Uses

anti-inflammatory

Definition

ChEBI: A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals.

in vivo

Taurocholic acid can induce stress-induced gastric injury models^[3].

Induction of stress-induced gastric injury^[3]

Background

Both in humans and experimental animals, Taurocholic acid irritates the gastric mucosa and causes the reverse diffusion of acid through the broken barrier^[3].

Specific Modeling Methods

Rat: Donryu strain rats ? male ? 230-240 g &bull
Administration: 30-300 mg/kg ? p.o ? single dose.

Note

After rats have fasted for 24 hours, their pylorus is ligated under ether anesthesia. Fifteen minutes after pylorus ligation, medication is administered to the rats.
The pylorus-ligated rats are then placed in cages with restricted movement.
Subsequently, the cages are immersed in a water bath maintained at 23°C until the water level reaches the xiphoid process of the rats, lasting for 7 hours.
Seven hours later, the animals are sacrificed under ether anesthesia, and the stomach of each animal is removed. The gastric contents are collected through the esophagus and analyzed for volume and acidity.

Modeling Indicators

Molecular Changes: Significant reductions in acidity and pepsin activity were observed, along with an increase in Na⁺ concentration. However, there was no effect on gastric juice volume or K⁺ concentration.

Correlated Product(s): Aspirin (HY-14654)

Opposite Product(s): L-Glutamine (HY-N0390)

Animal Model:	C57BL/6 mice^[2]
Dosage:	100-mg/kg
Administration:	oral gavage, for 2 weeks after tail vein injection with rAAV8-1.3HBV for 6 weeks
Result:	Reduced the percentage of NK and CD3+CD8+ T cells. Increases serum HBsAg, HBeAg, and HBV DNA levels.

IC 50

Microbial Metabolite; Human Endogenous Metabolite

storage

Store at -20°C

Purification Methods

Crystallise the acid from EtOH/EtOAc/Et2O (amorphous m 125o) or EtOH/Et2O [Josephson Biochem J 29 1484 1935]. The sodium salt (hydrate) [312693-83-7, 345909-26-4 (xH2O)] crystallises from aqueous EtOH/Et2O with m 231-232o, [] D 23 +25.2o (c 1, H2O); and has max (H2SO4) at 303, 389 and 480nm. [Beilstein 10 III 2177, 10 IV 2078.]

Spectrum Detail

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