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Sodium taurocholate hydrate - ≥97.0%(HPLC), high purity , CAS No.345909-26-4

1 Citations COA COA
In stock
Item Number
T134625
Grouped product items
SKU Size
Availability
 Price Qty
T134625-1g
1g
3
$11.90
T134625-5g
5g
5
$34.90
T134625-25g
25g
3
$121.90
T134625-100g
100g
Available within 1-2 weeks(?)
Item is derived from our semi-finished stock and is processed in 1-2 weeks.
$339.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Emulsifier (5) Metabolite (5307) Sodium salt (54)

Basic Description

Synonyms Taurocholic acid sodium salt hydrate | WOX5F63THK | Sodium taurocholate hydrate | MLS002153446 | Sodium taurocholate dihydrate | sodium taurocholate monohydrate | Taurocholic Acid sodium hydrate | 2-[(3α,7α,12α-Trihydroxy-24-oxo-5β-cholan-24-yl)amino]etha
Specifications & Purity Moligand™, ≥97%(HPLC)
Biochemical and Physiological Mechanisms Non-sulfated bile salt, physiological transport substrate for the bile salt export pump/sister of Pgp (BSEP/spgp), Na(+)/taurocholate cotransporter (NTCP) and MRP3 into the hepatic carnalicular.
Storage Temp Argon charged
Shipped In Normal
Grade Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Steroids and steroid derivatives
Subclass Bile acids, alcohols and derivatives
Intermediate Tree Nodes Not available
Direct Parent Taurinated bile acids and derivatives
Alternative Parents Trihydroxy bile acids, alcohols and derivatives  12-hydroxysteroids  3-alpha-hydroxysteroids  7-hydroxysteroids  N-acyl amines  Sulfonyls  Organosulfonic acids  Alkanesulfonic acids  Secondary carboxylic acid amides  Secondary alcohols  Cyclic alcohols and derivatives  Polyols  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  Organic sodium salts  Organonitrogen compounds  Organopnictogen compounds  
Molecular Framework Aliphatic homopolycyclic compounds
Substituents Taurinated bile acid - Trihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 7-hydroxysteroid - Fatty amide - N-acyl-amine - Fatty acyl - Cyclic alcohol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid derivative - Polyol - Organic alkali metal salt - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organic sodium salt - Organic salt - Aliphatic homopolycyclic compound
Description This 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 Not available

Associated Targets(Human)

HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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]ethanesulfonate;hydrate
INCHI InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;1H2/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1
InChIKey RDAJAQDLEFHVNR-NEMAEHQESA-M
Smiles [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O
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]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+]
WGK Germany 3
Alternate CAS 145-42-6
Molecular Weight 537.68 (anhydrous basis)
Beilstein 3901620
Reaxy-Rn 35581357
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35581357&ln=

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.

18 results found

Lot Number Certificate Type Date Item
G23131293 Certificate of Analysis Apr 09, 2025 T134625
B2526216 Certificate of Analysis Feb 28, 2025 T134625
B2526217 Certificate of Analysis Feb 28, 2025 T134625
B2526218 Certificate of Analysis Feb 28, 2025 T134625
B2526219 Certificate of Analysis Feb 28, 2025 T134625
K2411378 Certificate of Analysis Nov 01, 2024 T134625
K2411379 Certificate of Analysis Nov 01, 2024 T134625
K2411380 Certificate of Analysis Nov 01, 2024 T134625
K2411381 Certificate of Analysis Nov 01, 2024 T134625
G23131334 Certificate of Analysis Jul 24, 2023 T134625
G23131282 Certificate of Analysis Jul 24, 2023 T134625
B2426195 Certificate of Analysis Jul 24, 2023 T134625
G23131335 Certificate of Analysis Jul 24, 2023 T134625
G23131360 Certificate of Analysis Jul 24, 2023 T134625
H2430065 Certificate of Analysis Jul 24, 2023 T134625
G23131336 Certificate of Analysis Jul 24, 2023 T134625
G23131306 Certificate of Analysis Jul 24, 2023 T134625
G23131240 Certificate of Analysis Jul 24, 2023 T134625

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Chemical and Physical Properties

Solubility H2O: 50 mg/mL, clear
Sensitivity Moisture sensitive
Specific Rotation[α] [α]20/D +23±1°, c = 3% in H2O (dry matter)
Molecular Weight 555.700 g/mol
XLogP3
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 7
Exact Mass 555.284 Da
Monoisotopic Mass 555.284 Da
Topological Polar Surface Area 156.000 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 897.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 3

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Citations of This Product

How to Cite Aladdin Scientific Products?
1. Zhuo-Wei SHEN, Meng-Yue LUO, Hai-Hong HU, Hui ZHOU, Hui-Di JIANG, Lu-Shan YU, Su ZENG.  (2016)  Screening and verifying potential NTCP inhibitors from herbal medicinal ingredients using the LLC-PK1 cell model stably expressing human NTCP.  Chinese Journal of Natural Medicines,  14  (549). 

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