taurodeoxycholic acid

Modify Date: 2026-07-04 13:17:15

taurodeoxycholic acid Structure
taurodeoxycholic acid structure
 Common Name taurodeoxycholic acid
CAS Number 516-50-7 Molecular Weight 499.70400
Density N/A Boiling Point N/A
Molecular Formula C26H45NO6S Melting Point N/A
MSDS N/A Flash Point N/A

 Use of taurodeoxycholic acid


Taurodeoxycholic acid, a bile acid, stabilizes the mitochondrial membrane, decreases free radical formation. Taurodeoxycholic acid inhibits apoptosis by blocking a calcium-mediated apoptotic pathway as well as caspase-12 activation. Taurodeoxycholic acid exhibits neuroprotective effect in 3-nitropropionic acid induced mouse model or genetic mouse model of Huntington's disease (HD)[1][2][3][4].

 Names

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

Name taurodeoxycholic acid
Synonym More Synonyms

 taurodeoxycholic acid Biological Activity

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

Description Taurodeoxycholic acid, a bile acid, stabilizes the mitochondrial membrane, decreases free radical formation. Taurodeoxycholic acid inhibits apoptosis by blocking a calcium-mediated apoptotic pathway as well as caspase-12 activation. Taurodeoxycholic acid exhibits neuroprotective effect in 3-nitropropionic acid induced mouse model or genetic mouse model of Huntington's disease (HD)[1][2][3][4].
Related Catalog
Target

Microbial Metabolite

In Vitro Taurodeoxycholic acid (50 μM，100 μM；4 h) 增加原代人肝细胞中寡核体 DNA 切割和细胞核凋亡[1]。 Taurodeoxycholic acid (400 μM；18-24 h) 在人肝来源的 Huh7 细胞中增加 DNA 碎片和 PARP 切割，诱导凋亡[2]。
In Vivo Taurodeoxycholic acid (50 mg/kg；腹腔注射；每天 1 次，共 34 天) 预防亨廷顿舞蹈病 (HD) 大鼠模型的神经病理和相关的行为缺陷[3]。 Taurodeoxycholic acid (500 mg/kg；皮下注射；每 3 天 1 次，共 7 周) 导致 R6/2 转基因 HD 小鼠纹状体神经病理的显著降低[4]。 Animal Model: Huntington's disease model in mouse[3] Dosage: 50 mg/kg Administration: Intraperitoneal injection; once daliy for 34 d, injected 3-NP at 6 hr after Taurodeoxycholic acid treatment Result: Reduced striatal atrophy, decreased striatal apoptosis, as well as fewer and smaller size ubiquitinated neuronal intranuclear huntingtin inclusions. Significantly improved locomotor and sensorimotor deficits.
References

[1]. Benz C, et al. Effect of tauroursodeoxycholic acid on bile acid-induced apoptosis in primary human hepatocytes. Eur J Clin Invest. 2000 Mar;30(3):203-9.  

[2]. Xie Q, et al. Effect of tauroursodeoxycholic acid on endoplasmic reticulum stress-induced caspase-12 activation. Hepatology. 2002 Sep;36(3):592-601.  

[3]. Keene CD, et al. A bile acid protects against motor and cognitive deficits and reduces striatal degeneration in the 3-nitropropionic acid model of Huntington's disease. Exp Neurol. 2001 Oct;171(2):351-60.  

[4]. Keene CD, et al. Tauroursodeoxycholic acid, a bile acid, is neuroprotective in a transgenic animal model of Huntington's disease. Proc Natl Acad Sci U S A. 2002 Aug 6;99(16):10671-6.  

 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.

Molecular Formula C26H45NO6S
Molecular Weight 499.70400
Exact Mass 499.29700
PSA 132.31000
LogP 4.86900
InChIKey AWDRATDZQPNJFN-INWVEICNSA-N
SMILES CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

Taurine structure

Taurine

CAS#:107-35-7

~%

taurodeoxycholic acid Structure

taurodeoxycholi...

CAS#:516-50-7

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Literature: Cortese Journal of the American Chemical Society, 1937 , vol. 59, p. 2532 Full Text View citing articles Show Details Wieland Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1919 , vol. 106, p. 181,185
Taurine structure

Taurine

CAS#:107-35-7

3α,12α-diformyloxy-5β-cholan-24-oic acid chloride structure

3α,12α-diformyl...

CAS#:86678-83-3

~%

taurodeoxycholic acid Structure

taurodeoxycholi...

CAS#:516-50-7

Learn More
Literature: Cortese; Bashour Journal of Biological Chemistry, 1937 , vol. 119, p. 177,180
Deoxycholic acid structure

Deoxycholic acid

CAS#:83-44-3

~%

taurodeoxycholic acid Structure

taurodeoxycholi...

CAS#:516-50-7

Learn More
Literature: Norman Arkiv foer Kemi, 1956 , vol. 8, p. 331,338

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  3

DownStream  0

 taurodeoxycholic acidBioassay

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

Name: TP_TRANSPORTER: inhibition of Etoposide glucuronide uptake (Etoposide glucuronide: 0....
Source: ChEMBL
Target: ABC-type glutathione-S-conjugate transporter
External Id: CHEMBL2076972
Name: Reduction in human pancreatic recombinant 1B PLA2 activity expressed in Escherichia c...
Source: ChEMBL
Target: Phospholipase A2
External Id: CHEMBL1026212
Name: TP_TRANSPORTER: inhibition of Etoposide glucuronide uptake (Etoposide glucuronide: 0....
Source: ChEMBL
Target: ABC-type glutathione-S-conjugate transporter
External Id: CHEMBL2076973
Name: TP_TRANSPORTER: uptake in ASBT-expressing COS cells
Source: ChEMBL
Target: Ileal sodium/bile acid cotransporter
External Id: CHEMBL2076059
Name: TP_TRANSPORTER: RT-PCR in vivo, liver of CD-1 mouse
Source: ChEMBL
Target: Solute carrier organic anion transporter family member 1A4
External Id: CHEMBL2077952
Name: Reduction in human pancreatic recombinant 1B PLA2 activity expressed in Escherichia c...
Source: ChEMBL
Target: Phospholipase A2
External Id: CHEMBL1026996
Name: Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduct...
Source: ChEMBL
Target: Solute carrier organic anion transporter family member 1B1
External Id: CHEMBL2169429
Name: TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurochorate: 10 uM, TDCA: 100 uM)...
Source: ChEMBL
Target: Sodium/bile acid cotransporter
External Id: CHEMBL2077662
Name: Agonist activity at human FXR transfected in human HuH7 cells co-transfected with hum...
Source: ChEMBL
Target: Bile acid receptor
External Id: CHEMBL1027008
Name: Antagonist activity at human FXR transfected in human HuH7 cells co-transfected with ...
Source: ChEMBL
Target: Bile acid receptor
External Id: CHEMBL1027009
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 Synonyms

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

taurochenodeoxycholic acid
Deoxycholyltaurine
2-[4-[(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]pentanoylamino]ethanesulfonic acid
Tudcabil
Taurodeoxychloic Acid
[3H]-Deoxycholyltaurine
Taurodesoxycholic Acid
Deoxytaurocholic Acid
N-(3a,12a-Dihydroxy-5-cholan-24-oyl)taurine
2-[[(3a,5,12)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic Acid

 taurodeoxycholic acid | FAQ

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

Q: What is the CAS number of taurodeoxycholic acid?
A: CAS number of taurodeoxycholic acid is 516-50-7.
Q: What is the polar surface area (PSA) of taurodeoxycholic acid?
A: Polar surface area (PSA) of taurodeoxycholic acid is 132.31000.
Q: What is the SMILES notation of taurodeoxycholic acid?
A: SMILES notation of taurodeoxycholic acid is CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C.
Q: What are the upstream materials of taurodeoxycholic acid?
A: Related upstream materials(CAS) of taurodeoxycholic acid: 107-35-7;86678-83-3;83-44-3.
Q: What is the molecular weight of taurodeoxycholic acid?
A: Molecular weight of taurodeoxycholic acid is 499.70400.
Q: What is the LogP of taurodeoxycholic acid?
A: LogP of taurodeoxycholic acid is 4.86900.
Q: What are the uses of taurodeoxycholic acid?
A: Main uses of taurodeoxycholic acid: Taurodeoxycholic acid, a bile acid, stabilizes the mitochondrial membrane, decreases free radical formation. Taurodeoxycholic acid inhibits apoptosis by blocking a calcium-mediated apoptotic pathway as well as caspase-12 activation. Taurodeoxycholic acid exhibits neuroprotective effect in 3-nitropropionic acid induced mouse model or genetic mouse model of Huntington's disease (HD)[1][2][3][4].
Q: What is the InChIKey of taurodeoxycholic acid?
A: InChIKey of taurodeoxycholic acid is AWDRATDZQPNJFN-INWVEICNSA-N.
Q: What is the English name of taurodeoxycholic acid?
A: The English name of taurodeoxycholic acid is taurodeoxycholic acid.
Q: What is the molecular formula of taurodeoxycholic acid?
A: Molecular formula of taurodeoxycholic acid is C26H45NO6S.

 taurodeoxycholic acidfactory

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

Shanghai Nianxing Industrial Co., Ltd
BioBioPha
Zhongshan Xingrui Chemical Co. , Ltd.
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