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Taurochenodeoxycholic Acid

CAT: 0013-GTR19171256-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19171256-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Taurochenodeoxycholic acid, also known as 12-deoxycholyltaurine, is a primary taurine-conjugated bile acid found in animal bile. It is utilized in research to investigate bile acid metabolism, hepatoprotective mechanisms, and gastrointestinal physiology in both in vitro and in vivo experimental models.
CAS Number
516-35-8
Product Name Alternative
Acid, 12-Deoxycholyltaurine, bile, Apoptosis, anti-inflammatory, Chenyltaurine, Chenodeoxycholyltaurine, Caspase, caspase-3, caspase-8, inhibit, JNK, mRNA, immune, NR8383, Inhibitor, EndogenousMetabolite, Endogenous Metabolite, Taurochenodeoxycholate, Taurochenodeoxycholic Acid, TCDCA, regulation, TNF-α, TIMP-2, PKC
Field of Research
Cell Biology, Metabolism Research, Protein Biochemistry
Purity
99.48% (May vary between batches)
Solubility
DMSO:50 mg/mL (100.06 mM) ; H2O:100 mg/mL (200.12 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4 mM)
Smiles
C[C@@]12[C@] ([C@]3 ([C@@] ([C@]4 (C) [C@] (C[C@H]3O) (C[C@H] (O) CC4) [H]) (CC1) [H]) [H]) (CC[C@@]2 ([C@@H] (CCC (NCCS (=O) (=O) O) =O) C) [H]) [H]
Molecular Formula
C26H45NO6S
Molecular Weight
499.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Taurochenodeoxycholic Acid

Taurochenodeoxycholic acid is a bile acid taurine conjugate of chenodeoxycholic acid. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a chenodeoxycholic acid. It is a conjugate acid of a taurochenodeoxycholate.

CAS Number516-35-8
PubChem CID387316
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
Molecular FormulaC26H45NO6S
Molecular Weight499.7
XLogP3.6
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity858
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
InChI
InChI=1S/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
InChIKey
BHTRKEVKTKCXOH-BJLOMENOSA-N
Chemical Structure
2D Structure
2D structure of Taurochenodeoxycholic Acid
CAS: 516-35-8
CID: 387316
Formula: C26H45NO6S
MW: 499.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.7
XLogP33.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass499.29675933
Monoisotopic Mass499.29675933
Topological Polar Surface Area132 Ų
Heavy Atom Count34
Formal Charge0
Complexity858
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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