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Hyodeoxycholic acid

CAT: 0013-GTR19171299-04Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19171299-04Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hyodeoxycholic acid (NSC 60672) is a secondary bile acid investigated for its potential in managing hypercholesterolemia. Research applications include in vitro studies on lipid metabolism and in vivo models exploring its cholesterol-lowering effects and mechanisms.
CAS Number
83-49-8
Product Name Alternative
α-Hyodeoxycholic Acid, TGR5, inhibit, NSC 60672, NSC60672, NSC-60672, HDCA, Inhibitor, Hyodeoxycholic acid, G-protein coupled receptor 19, FXR, G protein-coupled Bile Acid Receptor 1, GPBAR1, GPCR19, Endogenous Metabolite, EndogenousMetabolite, alpha-Hyodeoxycholic Acid, a-Hyodeoxycholic Acid
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
97.26% (May vary between batches)
Solubility
DMSO:50 mg/mL (127.37 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; Ethanol:72 mg/mL (183.41 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.09 mM)
Smiles
[H][C@@]12CC[C@H] ([C@H] (C) CCC (O) =O) [C@@]1 (C) CC[C@@]1 ([H]) [C@@]2 ([H]) C[C@H] (O) [C@]2 ([H]) C[C@H] (O) CC[C@]12C
Molecular Formula
C24H40O4
Molecular Weight
392.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hyodeoxycholic Acid

Hyodeoxycholic acid is a member of the class of 5beta-cholanic acids that is (5beta)-cholan-24-oic acid substituted by alpha-hydroxy groups at positions 3 and 6. It is a bioactive compound extracted from Calculus bovis. It has a role as a mouse metabolite and a human metabolite. It is a C24-steroid, a bile acid, a member of 5beta-cholanic acids and a 6alpha,20xi-murideoxycholic acid. It is functionally related to a cholic acid. It is a conjugate acid of a hyodeoxycholate.

CAS Number83-49-8
PubChem CID5283820
IUPAC Name(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]pentanoic acid
Molecular FormulaC24H40O4
Molecular Weight392.6
XLogP4.9
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity605
SMILES
C[C@H](CCC(=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/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
InChIKey
DGABKXLVXPYZII-SIBKNCMHSA-N
Chemical Structure
2D Structure
2D structure of Hyodeoxycholic Acid
CAS: 83-49-8
CID: 5283820
Formula: C24H40O4
MW: 392.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.6
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass392.29265975
Monoisotopic Mass392.29265975
Topological Polar Surface Area77.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity605
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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