Taurodeoxychloic acid - ≥98% , CAS No.516-50-7

CAS: 516-50-7 Cat. No.: T336191 Molecular Weight: 499.70
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
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 | LMST05040013 | BRD-K33572481-001-01-0 | Sodium taurodeoxylate | D
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
T336191-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$53.90
5mg
T336191-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$185.90
25mg
T336191-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$539.90
100mg
T336191-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,059.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Taurodeoxycholic acid (Taurodeoxychloic acid) is a bile acid taurine conjugate of deoxycholic acid, a human metabolite that stabilizes mitochondrial membranes and reduces the formation of free radicals.Taurodeoxycholic acid inhibits apoptosis by blocking calcium-mediated apoptotic pathways and by activation of caspase-12. Taurodeoxycholic acid has neuroprotective activity and has been used to study 3-nitropropionic acid-induced or stabilized hereditary Huntington's chorea (HD).

Specifications

Synonyms
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 | LMST05040013 | BRD-K33572481-001-01-0 | Sodium taurodeoxylate | D
Specifications & Purity
≥98%
Storage
Protected from light, Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Names and Identifiers
Canonical SmilesCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
IUPAC Name2-[[(4R)-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]pentanoyl]amino]ethanesulfonic acid
InChIKeyAWDRATDZQPNJFN-VAYUFCLWSA-N
INCHI1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
Isomeric SMILES C[C@H](CCC(=O)NCCS(=O)(=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
Molecular Weight 499.70

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
SubclassBile acids, alcohols and derivatives
Intermediate Tree Nodes Not available
Direct ParentTaurinated bile acids and derivatives
Alternative Parents Dihydroxy bile acids, alcohols and derivatives  3-alpha-hydroxysteroids  12-hydroxysteroids  N-acyl amines  Sulfonyls  Organosulfonic acids  Alkanesulfonic acids  Secondary carboxylic acid amides  Secondary alcohols  Cyclic alcohols and derivatives  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Taurinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - Fatty amide - Fatty acyl - N-acyl-amine - Cyclic alcohol - Alkanesulfonic acid - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety.
External Descriptors Taurine conjugates
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC10A2 Tclin Ileal bile acid transporter (415 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GPBAR1 Tchem G-protein coupled bile acid receptor 1 (1723 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MRP3 Multidrug resistance associated protein (78 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
PLA2G1B Phospholipase A2 group 1B (227 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Abcc1 Multidrug resistance-associated protein 1 (42 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc10a1 Bile acid transporter (65 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slco1a1 Solute carrier organic anion transporter family member 1A1 (265 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc10a2 Ileal sodium/bile acid cotransporter (17 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slco1a5 Solute carrier organic anion transporter family member 1A5 (48 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
J2522677Certificate of AnalysisSep 28, 2025 T336191
J2522678Certificate of AnalysisSep 28, 2025 T336191
J2522683Certificate of AnalysisSep 28, 2025 T336191
J2522693Certificate of AnalysisSep 28, 2025 T336191
Chemical and Physical Properties
Sensitivitylight sensitive
Molecular Weight499.700 g/mol
XLogP33.600
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass499.297 Da
Monoisotopic Mass499.297 Da
Topological Polar Surface Area132.000 Ų
Heavy Atom Count34
Formal Charge0
Complexity858.000
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Jing Kong, Mingyuan Li, Yutong Li, Min Liu, Qian Zhang, Jie Liu, HongZhuan Xuan.  (2023)  Effect of the bile salt surfactant sodium taurodeoxycholate on the physicochemical properties of a mixed system of Galangin-Hemoglobin and Baicalein-Hemoglobin.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.123302]
2. Wang Rulin, Yuan Tengteng, Sun Jing, Yang Menghuan, Chen Yunna, Wang Lei, Wang Yanyan, Chen Weidong, Peng Daiyin.  (2022)  Paeoniflorin alleviates 17α-ethinylestradiol-induced cholestasis via the farnesoid X receptor-mediated bile acid homeostasis signaling pathway in rats.  Frontiers in Pharmacology,      [PMID:36479204] [10.3389/fphar.2022.1064653]
3. Wei Xu, Yingying Kong, Tuo Zhang, Zhihua Gong, Wenjun Xiao.  (2022)  L-Theanine regulates lipid metabolism by modulating gut microbiota and bile acid metabolism.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  103  (3): (1283-1293).  [PMID:36087337] [10.1002/jsfa.12222]
4. Cui Xiping, He Qiyi, Yang Huiyi, Chen Yingshan, Shen Ding, Eremin Sergei A., Mu Yunping, Zhao Suqing.  (2021)  Development of enzyme-free single-step immunoassays for glycocholic acid based on palladium nanoparticle-mediated signal generation.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  413  (23): (5733-5742).  [PMID:34476526] [10.1007/s00216-021-03548-5]
5. Qiyi He, Yanxiong Fang, Huiyi Yang, Ding Shen, Yingshan Chen, Yingying Zhong, Xiangguang Li, Sergei A. Eremin, Xiping Cui, Suqing Zhao.  (2021)  Enhanced performance of a surface plasmon resonance-based immunosensor for the detection of glycocholic acid.  Analytical Methods,  13  (16): (1919-1924).  [PMID:33913980] [10.1039/D1AY00357G]
6. Chen Lirong, Guo Yuqiu, Li Xiaoyue, Gong Kuijie, Liu Kaichang.  (2021)  Phenolics and related in vitro functional activities of different varieties of fresh waxy corn: a whole grain.  BMC Chemistry,  15  (1): (1-9).  [PMID:33648574] [10.1186/s13065-021-00740-7]
7. Yuan Gao, Yujun Liu, Mengying Sun, Heping Zhang, Guangqing Mu, Yanfeng Tuo.  (2020)  Physiological function analysis of Lactobacillus plantarum Y44 based on genotypic and phenotypic characteristics.  JOURNAL OF DAIRY SCIENCE,      [PMID:32418691] [10.3168/jds.2019-18047]
8. Dong-Sheng Zhao, Li-Long Jiang, Ya-Xi Fan, Lei-Chi Dong, Jiang Ma, Xin Dong, Xiao-Jun Xu, Ping Li, Hui-Jun Li.  (2017)  Identification of urine tauro-β-muricholic acid as a promising biomarker in Polygoni Multiflori Radix-induced hepatotoxicity by targeted metabolomics of bile acids.  FOOD AND CHEMICAL TOXICOLOGY,      [PMID:28237774] [10.1016/j.fct.2017.02.030]
9. Guan-Lin Chen, Song-Gen Chen, Ying-Qing Xie, Fu Chen, Ying-Ying Zhao, Chun-Xia Luo, Yong-Qing Gao.  (2015)  Total phenolic, flavonoid and antioxidant activity of 23 edible flowers subjected to in vitro digestion.  Journal of Functional Foods,      [PMID:] [10.1016/j.jff.2015.05.028]
10. Fangli Yang, Ke Lv, Xu Zhao, Derui Kong, Na Kong, Zirong Luo, Jinlong Tao, Ji Zhou, Joselito M. Razal, Jizhen Zhang.  (2024)  Hierarchical heterostructures of MXene and mesoporous hollow carbon sphere for improved ion accessibility and rate performance.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.153246]
11. Guan-Lin Chen, Song-Gen Chen, Fu Chen, Ying-Qing Xie, Men-Di Han, Chun-Xia Luo, Ying-Ying Zhao, Yong-Qing Gao.  (2015)  Nutraceutical potential and antioxidant benefits of selected fruit seeds subjected to an in vitro digestion.  Journal of Functional Foods,      [PMID:] [10.1016/j.jff.2015.11.003]
12. Xu Zhao, Zirong Luo, Tuanzhang Li, Wenfa Mao, Fangting Mo, Yanqiu Shao, Shuang Li, Jizhen Zhang, Na Kong, Jihua Li, Jinlong Tao.  (2025)  Scalable wet-spun stretchable conductive fibers with SWCNT-enhanced mechanical and electrical properties for multifunctional wearables.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171622]
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