Products for Research Use Only
RegisterLogin

Taurohyodeoxycholic acid

CAT: 0931-T37770-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T37770-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2958-04-5
Target
Interleukin, Endogenous Metabolite, Glutathione Peroxidase, Cytochromes P450, IL Receptor, COX, TNF
Related Pathways
Neuroscience, Apoptosis, Immunology/Inflammation, Metabolism
Purity
0.9938
Bioactivity
Taurohyodeoxycholic acid (THDCA) is a bile acid that plays a key role in regulating the hepatic inflammatory microenvironment.THDCA reduces the expression of TNF-α and IL-6 and inhibits the development of hepatocellular carcinoma (HCC) . It is able to inhibit non-alcoholic fatty liver disease and regulate bile acid metabolism in combination with astragalus polysaccharides: it reduces CD36 expression in the liver and decreases hepatic lipid accumulation by up-regulating CYP7B1 and down-regulating CYP7A1.
Smiles
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(NCCS(=O)(=O)O)=O)C)(CC4)[H])[H])(C[C@H](O)[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Molecular Formula
C26H45NO6S
Molecular Weight
499.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Taurohyodeoxycholic acid

Taurohyodeoxycholic acid is a bile acid taurine conjugate. It is a conjugate acid of a taurohyodeoxycholate(1-).

CAS Number2958-04-5
PubChem CID119046
IUPAC Name2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI
InChI=1S/C26H45NO6S/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2/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
HMXPOCDLAFAFNT-BHYUGXBJSA-N
Chemical Structure
2D Structure
2D structure of Taurohyodeoxycholic acid
CAS: 2958-04-5
CID: 119046
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

Related Products

CatalogName
T29605-01Acid Red 186 free acid
T17355-01Acid-PEG4-S-PEG4-acid
T14104-01Acid-PEG3-SS-PEG3-acid
T14100-01Acid-PEG2-SS-PEG2-acid
T14107-01Acid-PEG4-S-S-PEG4-acid
T40992-01Acid-PEG8-S-S-PEG8-acid
TN7348-01(±) -Cannabichromenic Acid
T21367-01Tetrahydrofolic acid
TN2112-01Przewalskinic acid A
T125194-01Kolavenic acid

Alternative Products

CatalogName
289934-01Taurohyodeoxycholic acid
E7250Taurohyodeoxycholic acid sodium
HY-114360A-01Taurohyodeoxycholic acid (sodium)
AR-C07430-01Taurohyodeoxycholic Acid-d5
466850-01Taurohyodeoxycholic Acid-d4
HY-114360AS1Taurohyodeoxycholic acid-d4 (sodium)
MBS5759675Taurohyodeoxycholic acid sodium salt
C8632-1Taurohyodeoxycholic acid (sodium salt)
M21985-01Taurohyodeoxycholic acid sodium salt hydrate

Popular Products