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Taurodeoxychloic acid , CAS No.516-50-7

10 Citations COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
T336191
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T336191-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$29.90
T336191-5mg
5mg
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$106.90
T336191-10mg
10mg
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$427.90
T336191-25mg
25mg
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$269.90
T336191-50mg
50mg
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$439.90
T336191-100mg
100mg
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$619.90
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an apoptosis inhibitor

View related series
Apoptosis (4276) Class A GPCR (4138) DNA Damage (697) Histone Modification (1379) Metabolite (5307) Metabolize (5) Proteasome (85)

Basic Description

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 Temp 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.
Product Description

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).

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 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 Framework Aliphatic 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
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 Taurine conjugates

Associated Targets(Human)

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC10A2 Tclin Ileal bile acid transporter (415 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GPBAR1 Tchem G-protein coupled bile acid receptor 1 (1723 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MRP3 Multidrug resistance associated protein (78 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

PLA2G1B Phospholipase A2 group 1B (227 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Abcc1 Multidrug resistance-associated protein 1 (42 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Slc10a1 Bile acid transporter (65 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Slco1a1 Solute carrier organic anion transporter family member 1A1 (265 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Slc10a2 Ileal sodium/bile acid cotransporter (17 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Slco1a5 Solute carrier organic anion transporter family member 1A5 (48 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 2-[[(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
INCHI InChI=1S/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
InChIKey AWDRATDZQPNJFN-VAYUFCLWSA-N
Smiles CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Sensitivity light sensitive
Molecular Weight 499.700 g/mol
XLogP3 3.600
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 499.297 Da
Monoisotopic Mass 499.297 Da
Topological Polar Surface Area 132.000 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 858.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
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 1

Solution Calculators

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