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474-74-8,MFCD00067140
Catalog No.:AA0070D9

474-74-8 | Glycine, N-[(3a,5b)-3-hydroxy-24-oxocholan-24-yl]-

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1mg
≥98%
in stock  
$63.00   $44.00
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5mg
≥98%
in stock  
$139.00   $97.00
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10mg
≥98%
in stock  
$186.00   $130.00
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25mg
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$382.00   $267.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0070D9
Chemical Name:
Glycine, N-[(3a,5b)-3-hydroxy-24-oxocholan-24-yl]-
CAS Number:
474-74-8
Molecular Formula:
C26H43NO4
Molecular Weight:
433.6239
MDL Number:
MFCD00067140
SMILES:
O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)O)C)C)C
Properties
Computed Properties
 
Complexity:
695  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
6  
XLogP3:
5.6  

Literature

Title: Decreased bile-acid synthesis in livers of hepatocyte-conditional NADPH-cytochrome P450 reductase-null mice results in increased bile acids in serum.

Journal: The Journal of pharmacology and experimental therapeutics 20141001

Title: 11β-Hydroxysteroid dehydrogenase-1 is involved in bile acid homeostasis by modulating fatty acid transport protein-5 in the liver of mice.

Journal: Molecular metabolism 20140801

Title: Amino acid conjugates of lithocholic acid as antagonists of the EphA2 receptor.

Journal: Journal of medicinal chemistry 20130411

Title: Profiling circulating and urinary bile acids in patients with biliary obstruction before and after biliary stenting.

Journal: PloS one 20110101

Title: Enteric microbiome metabolites correlate with response to simvastatin treatment.

Journal: PloS one 20110101

Title: Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies.

Journal: Journal of medicinal chemistry 20080327

Title: In silico prediction of pregnane X receptor activators by machine learning approaches.

Journal: Molecular pharmacology 20070101

Title: Interaction of native bile acids with human apical sodium-dependent bile acid transporter (hASBT): influence of steroidal hydroxylation pattern and C-24 conjugation.

Journal: Pharmaceutical research 20060701

Title: Transport of bile acids, sulfated steroids, estradiol 17-beta-D-glucuronide, and leukotriene C4 by human multidrug resistance protein 8 (ABCC11).

Journal: Molecular pharmacology 20050201

Title: Quantification of bile acids directly from plasma by MALDI-TOF-MS.

Journal: Analytical and bioanalytical chemistry 20040301

Title: Cotransport of reduced glutathione with bile salts by MRP4 (ABCC4) localized to the basolateral hepatocyte membrane.

Journal: Hepatology (Baltimore, Md.) 20030801

Title: Quantification of bile acids directly from urine by MALDI-TOF-MS.

Journal: Analytical and bioanalytical chemistry 20030301

Title: Identification of an endogenous ligand that activates pregnane X receptor-mediated sterol clearance.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20030204

Title: Characterization of the transport properties of human multidrug resistance protein 7 (MRP7, ABCC10).

Journal: Molecular pharmacology 20030201

Title: Selective interaction of bile acids with muscarinic receptors: a case of molecular mimicry.

Journal: European journal of pharmacology 20021220

Title: Lithocholylcholine, a bile acid/acetylcholine hybrid, is a muscarinic receptor antagonist.

Journal: The Journal of pharmacology and experimental therapeutics 20021001

Title: Cloning and expression of cDNA encoding hamster liver 3-hydroxyhexobarbital/17beta(3alpha)-hydroxysteroid dehydrogenase 1.

Journal: Chemico-biological interactions 20010130

Title: Evidence for an ordered reaction mechanism for bile salt: 3'phosphoadenosine-5'-phosphosulfate: sulfotransferase from rhesus monkey liver that catalyzes the sulfation of the hepatotoxin glycolithocholate.

Journal: Journal of lipid research 19861101

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Tags:474-74-8 Molecular Formula|474-74-8 MDL|474-74-8 SMILES|474-74-8 Glycine, N-[(3a,5b)-3-hydroxy-24-oxocholan-24-yl]-