5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL N-(2-SULPHOETHYL)-AMIDE
Taurocholic Acid
CAS: 81-24-3
Molecular Formula: C26H45NO7S
5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL N-(2-SULPHOETHYL)-AMIDE - Names and Identifiers
5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL N-(2-SULPHOETHYL)-AMIDE - Physico-chemical Properties
| Molecular Formula | C26H45NO7S |
| Molar Mass | 515.7 |
| Density | 1.0902 (rough estimate) |
| Melting Point | 125°C (rough estimate) |
| Specific Rotation(α) | D18 +38.8° (c = 2 in alcohol) |
| Solubility | Easily soluble in water, soluble in ethanol, almost insoluble in ether and ethyl acetate. In case of acid-base breakdown into cholic acid and taurine |
| Appearance | Morphological Solid |
| Color | White to Off-White |
| pKa | 1.4(at 25℃) |
| Storage Condition | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Stability | Hygroscopic |
| Sensitive | Hygroscopic |
| Refractive Index | 1.5650 (estimate) |
| MDL | MFCD00053458 |
| Physical and Chemical Properties | Chemical properties amorphous powder. Melting point 125 ℃ (decomposition),[α]20/D 38.8 (ethanol-water). Easy to absorb moisture. Easily soluble in water, soluble in ethanol, almost insoluble in ether and ethyl acetate. In case of acid and alkali, it is decomposed into cholic acid and taurine. |
| Use | Use is an intermediate of dehydrocholic acid. LD50 (rat) 380mg/kg. |
5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL N-(2-SULPHOETHYL)-AMIDE - Risk and Safety
| Toxicity | LD50 in newborn rats: 380 mg/kg (Klaassen) |
5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL N-(2-SULPHOETHYL)-AMIDE - Reference
| Reference Show more | 1. Cao Yan, Li Ting, Chang Anqi, Jiang Zhenzhen, Yu Juan, Tu Peng-fei, Song Yue-Lin. Analysis of chemical constituents of bile acids in snake bile [J]. Chinese Journal of Traditional Chinese Medicine, 2021,46(01):130-138. 2. Zhang, Xiao Yong, et al. "Comparative metabonomics analysis of cervices in human patients and a phenol mucilage-induced rat model using liquid chromatography." Frontiers in pharmacology 9 (2018): 282.https://doi.org/10.3389/fphar. 3. [IF = 5.81] Zhang Xiaoyong et al."Comparative Metabolomics Analysis of Cervicitis in Human Patients and a Phenol Mucilage-Induced Rat Model Using Liquid Chromatography Tandem Mass Spectrometry."Front Pharmacol. 2018 Apr;0:282 4. [IF=3.935] Ziying Liu et al."Promotion of classic neutral bile acids synthesis pathway is responsible for cholesterol-lowing effect of Si-miao-yong-an decoction: Application of LC-MS/MS method to determine 6 major bile acids in rat liver and plasma."J Pharmaceut Bio 5. [IF=3.361] Qingqing Song et al."Polarity-extended quantitative analysis of bear bile and its analogues using serially coupled reversed phase-hydrophilic interaction liquid chromatography-tailored multiple reaction monitoring."Rsc Adv. 2017 Nov;7(83):52822-52831 6. [IF=5.878] Min Wen et al."Geniposide suppresses liver injury in a mouse model of DDC-induced sclerosing cholangitis."Phytother Res. 2021 Jul;35(7):3799-3811 7. [IF=5.34] Kaihui Zhang et al."A UPLC-MS/MS-based metabolomics analysis of the pharmacological mechanisms of rabdosia serra against cholestasis."Phytomedicine. 2021 Oct;91:153683 8. [IF=3.935] Song Lin et al."A systemic combined nontargeted and targeted LC-MS based metabolomic strategy of plasma and liver on pathology exploration of alpha-naphthylisothiocyanate induced cholestatic liver injury in mice."J Pharmaceut Biomed. 2019 Jul;171:180 9. [IF=3.935] Runjing Zhang et al."Xiaoyan lidan formula ameliorates α-naphthylisothiocyanate-induced intrahepatic cholestatic liver injury in rats as revealed by non-targeted and targeted metabolomics."J Pharmaceut Biomed. 2020 Feb;179:112966 10. [IF=5.396] Juan Wu et al."Sargassum fusiforme polysaccharide is a potential auxiliary substance for metformin in the management of diabetes."Food Funct. 2022 Feb;: 11. [IF=6.558] Yan Cao et al."Widely quasi-quantitative analysis enables temporal bile acids-targeted metabolomics in rat after oral administration of ursodeoxycholic acid."ANALYTICA CHIMICA ACTA. 2022 Jun;1212:339885 |
5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL N-(2-SULPHOETHYL)-AMIDE - Nature
| specific rotation | D18 38.8° (c = 2 in alcohol) |
| EPA chemical information | Ethanesulfonic acid, 2-[[(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]- (81-24-3) |
Last Update：2024-04-10 22:29:15
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