Taurodeoxycholate

Executive Summary

Summary Information

The table listed below contains a summarized listing of toxic effect information leveraged from the 6th European Framework Programme project LIINTOP. For a complete listing of the Gold Compound evaluation criteria please see the Gold Compound Evaluation and Comments immediately following the summary table below.

SMILES O=S(=O)(O)CCNC(=O)CC[C@@H](C)[C@H]4CC[C@H]3[C@H]1[C@@H]([C@@]2([C@H](CC1)C[C@H](O)CC2)C)C[C@H](O)[C@@]34C InChI InChI=1S/C31H50O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h19,21-22,25-26,32H,3,9-18H2,1-2,4-8H3,(H,33,34) InChI-Key UGMQOYZVOPASJF-UHFFFAOYSA-N Supplier Sigma Aldrich
Summary Hepatotoxic Effects from the LIINTOP FP6 Program
															References
	+														[1] [2] [3] [4] [5]

Gold Compound Evaluation and Comments

The following table is organized into four main sections and provides a detailed assessment by the Gold Compound Working Group for the use of this compound as a standard hepatotoxin. The table's four sections (collapsed by default but will expand when the "show" link is clicked) contains detailed information for the core set of SEURAT compound acceptance criteria.

Proprietary Toxicity Literature Report

Currently Unavailable

FDA and Label Information

The following link will display all of the currently approved FDA drug products on the market. The web page will contain a table listing all current products by their respective Tradenames and primary active ingredients. The list is navigable by simply clicking on the product of interest, which will in turn list all of the NDA's and ANDA's associated with that product. From here users can click on a specific NDA or ANDA and see documents that have been submitted for the product that the FDA has made available via their website. The types of documents include approval history, letters, reviews and labels.
FDA Approved Products

This next url will perform a search in the FDA's system for all labels for products that contain "Taurodeoxycholate" as an active ingredient.
FDA Label Search

FDA approved in manufacture of vaccines

PubMed references

The following resource link will perform a PubMed query for the terms "Taurodeoxycholate" and "liver toxicity".
Taurodeoxycholate Search

References

1. ↑ Feldmann, G., 2006. Liver apoptosis. Gastroenterol. Clin. Biol. 30, 533–545.
2. ↑ Gomez-Lechon, M.J., O’Connor, E., Castell, J.V., Jover, R., 2002. Sensitive markers used to identify compounds that trigger apoptosis in cultured hepatocytes. Toxicol. Sci. 65, 299–308.
3. ↑ Gomez-Lechon, M.J., O’Connor, J.E., Lahoz, A., Castell, J.V., Donato, M.T., 2008. Identification of apoptotic drugs: multiparametric evaluation in cultured hepatocytes. Curr. Med. Chem. 15, 2071–2085.
4. ↑ Gomez-Lechon, M.J., Ponsoda, X., O’Connor, E., Donato, T., Jover, R., Castell, J.V., 2003. Diclofenac induces apoptosis in hepatocytes. Toxicol. in Vitro 17, 675– 680.
5. ↑ Kass, G.E., Macanas-Pirard, P., Lee, P.C., Hinton, R.H., 2003. The role of apoptosis in acetaminophen-induced injury. Ann. NY Acad. Sci. 1010, 557–559.

Calculated/Predicted Properties

Water Solubility Results pH Sol,mg/ml 27+ 0 27+,30- Graph 2 0.2 - 15.2 0.4 5.5 82.55 - - - 6.5 95.65 - - - 7.4 97.15 - - - 10 97.37 - - - Summary Solubility Data Intrinsic Solubility,mg/ml 3.0791E-2 Intrinsic Solubility,log(S,mol/l) -4.2103 Solubility in Pure Water at pH = 2.74,mg/ml 0.963 Calculations performed using ACD/PhysChem v 9.14

LogD Results pH LogD Graph 2 1.28 5.5 -1.33 6.5 -1.4 7.4 -1.4 10 -1.4 Calculations performed using ACD/PhysChem v 9.14