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Chenodeoxycholic acid (sodium)

CAT: 0804-HY-76847A-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-76847A-01Size:100 mg
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Description
Chenodeoxycholic acid sodium is a hydrophobic primary bile acid that activates nuclear receptors (FXR) involved in cholesterol metabolism.
CAS Number
2646-38-0
Product Name Alternative
CDCA (sodium)
UNSPSC
12352211
Hazard Statement
H301, H361
Target
Autophagy; Endogenous Metabolite; FXR
Type
Reference compound
Related Pathways
Autophagy; Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cancer; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/chenodeoxycholic-acid-sodium.html
Concentration
10mM
Purity
98.61
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 8.75 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(O[Na])CC[C@@H](C)[C@]1([H])[C@]2(C)[C@](CC1)([H])[C@]3([H])[C@H](O)C[C@@](C4)([H])[C@@](CC[C@H]4O)(C)[C@]([H])3CC2
Molecular Formula
C24H39NaO4
Molecular Weight
414.55
Precautions
H301, H361
References & Citations
[1]Stauffer AT, et al. Chenodeoxycholic acid and deoxycholic acid inhibit 11 beta-hydroxysteroid dehydrogenase type 2 and cause cortisol-induced transcriptional activation of the mineralocorticoid receptor. J Biol Chem. 2002 Jul 19;277 (29) :26286-92|[2]Noh K, et al. Farnesoid X receptor activation by chenodeoxycholic acid induces detoxifying enzymes through AMP-activated protein kinase and extracellular signal-regulated kinase 1/2-mediated phosphorylation of CCAAT/enhancer binding protein β. Drug Metab|[3]Casaburi I, et al. Chenodeoxycholic acid through a TGR5-dependent CREB signaling activation enhances cyclin D1 expression and promotes human endometrial cancer cell proliferation. Cell Cycle. 2012 Jul 15;11 (14) :2699-710|[4]Ao M, et al. Chenodeoxycholic acid stimulates Cl (-) secretion via cAMP signaling and increases cystic fibrosis transmembrane conductance regulator phosphorylation in T84 cells. Am J Physiol Cell Physiol. 2013 Aug 15;305 (4) :C447-56|[5]Kawabe Y, et al. The molecular mechanism of the induction of the low density lipoprotein receptor by chenodeoxycholic acid in cultured human cells. Biochem Biophys Res Commun. 1995 Mar 8;208 (1) :405-11.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Sodium Chenodeoxycholate
CAS Number2646-38-0
PubChem CID23696998
IUPAC Namesodium (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]pentanoate
Molecular FormulaC24H39NaO4
Molecular Weight414.6
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity612
SMILES
C[C@H](CCC(=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.[Na+]
InChI
InChI=1S/C24H40O4.Na/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m1./s1
InChIKey
WDFRNBJHDMUMBL-OICFXQLMSA-M
Chemical Structure
2D Structure
2D structure of Sodium Chenodeoxycholate
CAS: 2646-38-0
CID: 23696998
Formula: C24H39NaO4
MW: 414.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass414.27460400
Monoisotopic Mass414.27460400
Topological Polar Surface Area80.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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TRC-C291914-1MGChenodeoxycholic Acid-d5 24-Acyl-b-D-glucuronide Sodium Salt (contains d0 up to 2%)
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