Taurochenodeoxycholic acid - Moligand™, 10mM in DMSO , CAS No.516-35-8

CAS: 516-35-8 Cat. No.: T424435 Molecular Weight: 499.72 EC Number: 112-616-8 PubChem CID: 387316
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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
MFCD00232922 | TUD | 2-([3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan24-yl]amino)ethanesulfonic acid | 2-[(3a,7a-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate | 651KU15938 | Chenyltaurine | Taurochenodeoxycholate | 12-Deoxycholyltaurine | C0546
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Status
Price
Qty
1ml
T424435-1ml
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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

Cited in 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
MFCD00232922 | TUD | 2-([3alpha, 7alpha-dihydroxy-24-oxo-5beta-cholan24-yl]amino)ethanesulfonic acid | 2-[(3a, 7a-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate | 651KU15938 | Chenyltaurine | Taurochenodeoxycholate | 12-Deoxycholyltaurine | C0546
Specifications & Purity
Moligand™, 10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Names and Identifiers
Canonical SmilesCC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
IUPAC Name2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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
InChIKeyBHTRKEVKTKCXOH-BJLOMENOSA-N
INCHI1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1
Isomeric SMILES C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
PubChem CID 387316
Molecular Weight 499.72

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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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  7-hydroxysteroids  3-alpha-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 - Hydroxysteroid - 3-alpha-hydroxysteroid - 7-hydroxysteroid - Fatty acyl - Fatty amide - N-acyl-amine - Alkanesulfonic acid - Cyclic alcohol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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
CYP3A4 Tclin Cytochrome P450 3A4 (53859 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
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
SLCO1A2 Tchem Solute carrier organic anion transporter family member 1A2 (104 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)
Abcb1b P-glycoprotein 1 (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slc10a1 Bile acid transporter (65 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mdr1a Multidrug resistance protein 1a (106 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.

1 results found

Lot NumberCertificate TypeDateItem
I2206013Certificate of AnalysisMay 08, 2026 T424435
Chemical and Physical Properties
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. Wei Jia, Jiying Zhu.  (2023)  Molecular Mechanism of ε-Polylysine Treatment of Animal-Derived Foods: Glycine Amidinotransferase Activity Implicates Upregulation of l-Arginine and Creatine.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:37793042] [10.1021/acs.jafc.3c04033]
2. Yichun Liu, Kaimin Niu, Ruxia Wang, Xiaoxiao Liang, Chong Lin, Xin Wu, Zhenya Zhai.  (2023)  Taurochenodeoxycholic acid inhibits intestinal epithelial cell proliferation and induces apoptosis independent of the farnesoid X receptor.  Food & Function,      [PMID:37195071] [10.1039/D3FO00770G]
3. Kedong Liu, Yun Chen, Zhaoqi Yang, Jian Jin.  (2023)  zwitterionic Pluronic analog-coated PLGA nanoparticles for oral insulin delivery.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:36870645] [10.1016/j.ijbiomac.2023.123870]
4. 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]
5. Tao Wang, Junjie Han, Huanqin Dai, Jingzu Sun, Jinwei Ren, Wenzhao Wang, Shanshan Qiao, Chang Liu, Li Sun, Shuangjiang Liu, Dianpeng Li, Shenglong Wei, Hongwei Liu.  (2022)  Polysaccharides from Lyophyllum decastes reduce obesity by altering gut microbiota and increasing energy expenditure.  CARBOHYDRATE POLYMERS,      [PMID:35989006] [10.1016/j.carbpol.2022.119862]
6. Ma Wen, Yang Bingxin, Li Jun, Liu Mingxia, Li Xianjiang, Liu Huwei.  (2022)  Maltose-functional metal–organic framework assisted laser desorption/ionization mass spectrometry for small biomolecule determination.  MICROCHIMICA ACTA,  189  (7): (1-8).  [PMID:35689150] [10.1007/s00604-022-05338-x]
7. Shun Zhang, Ting Cai, Jing Lin, Jia-Juan Liu, Yong-Gang Zhao, Min-Yi Cao.  (2024)  Analysis of 15 bile acids in human plasma based on C18 functionalized magnetic organic polymer nanocomposite coupled with liquid chromatography-tandem mass spectrometry.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38704923] [10.1016/j.chroma.2024.464962]
8. Qian Fang, Xiaoying Hou, Limei Fan, Yufei Deng, Xiaoxuan Li, Hongyun Zhang, Haiping Wang, Zhengqi Fu, Binlian Sun, Xiji Shu, Hongzhi Du, Yuchen Liu.  (2025)  Gut microbiota derived DCA enhances FOLFOX efficacy via Ugt1a6b mediated enterohepatic circulation in colon cancer.  PHARMACOLOGICAL RESEARCH,      [PMID:39894186] [10.1016/j.phrs.2025.107636]
9. Chen Song, Hu Zongren, Tang Jianbang, Zhu Haipeng, Zheng Yuhua, Xiao Jiedong, Xu Youhua, Wang Yao, Luo Yi, Mo Xiaoying, Wu Yalan, Guo Jianwen, Zhang Yongliang, Luo Huanhuan.  (2024)  High temperature and humidity in the environment disrupt bile acid metabolism, the gut microbiome, and GLP-1 secretion in mice.  Communications Biology,  (1): (1-13).  [PMID:38632312] [10.1038/s42003-024-06158-w]
10. Wen Ma, Mingxia Liu, Mengling Tu, Gang Wang, Jun Li, Fen Liu, Jian Yang, Xianjiang Li.  (2024)  Novel multi-layered MXene as laser desorption ionization mass spectrometry matrix for rapid detection of small biomolecules.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.157466]
11. Junjie Chen, Yixian Cheng, Rui Fu, Xinyu Chen, Peng Zhang, Yixiao Lu, Bingsheng Liu, Peng Chen, Jiahao Wang, Haikun Cao, Jinghua Gu, Haosong Chen, Zilong Jiang, Ting Li, Jiawei Zhang, Bo Chen, Guodong Cao.  (2025)  Multiomics Reveals Nonphagocytosable Microplastics Induce Colon Inflammatory Injury via Bile Acid-Gut Microbiota Interactions and Barrier Dysfunction.  ACS Applied Materials & Interfaces,      [PMID:40682529] [10.1021/acsami.5c07250]
12. Xiao Xina, Hu Meng, Gao Li, Yuan Huan, Chong Baochen, Liu Yu, Zhang Rou, Gong Yanqiu, Du Dan, Zhang Yong, Yang Hao, Liu Xiaohui, Zhang Yan, Zhang Huiyuan, Xu Heng, Zhao Yi, Meng Wenbo, Xie Dan, Lei Peng, Qi Shiqian, Peng Yong, Tan Tao, Yu Yang, Hu Hongbo, Dong Biao, Dai Lunzhi.  (2025)  Low-input redoxomics facilitates global identification of metabolic regulators of oxidative stress in the gut.  Signal Transduction and Targeted Therapy,  10  (1): (1-18).  [PMID:39774148] [10.1038/s41392-024-02094-7]
13. Lin Jing, Yixuan Liao, Honghong Zhan, Qianyu Chen, Xiaodong Wei, Yinda Qiu, Fancheng Meng, Zhihua Liao, Min Chen.  (2025)  Herpetrione alleviates ANIT-induced cholestatic liver injury by targeting FXR to suppress NF-κB signaling.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:41176140] [10.1016/j.jep.2025.120839]
14. Yang Yuexiang, Rong Zhiwei, Baitian Li, Wang Qing, Liu Chunzheng, Wang Zetian, Liao Lijun.  (2025)  TCDCA inhibits pyroptosis to alleviate sepsis-related acute hepatic injury via activating TGR5.  Frontiers in Immunology,      [PMID:41383592] [10.3389/fimmu.2025.1706041]
15. Hongyu Jiang, Wenyan Xiong, Yingna Feng, Xingjie Li, Jinzhuo Tan, Zongde Zhang.  (2026)  Bile acids enrichment fuel tumor aerobic glycolysis and immune evasion via stabilizing FXR-RARα.  Frontiers in Immunology,      [PMID:] [10.3389/fimmu.2026.1750358]
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