Allyl alcohol
From ToxBankWiki
Executive Summary Information
Compound | Allyl alcohol |
Toxicities | Cytotoxicity with fibrosis |
Mechanisms | Allyl alcohol is oxidized to acrolein by alcohol dehydrogenase, primarily in the liver. Acrolein is a potent alkylating reagent that is selective for glutathione and protein cysteines. |
Comments | Allyl alcohol was selected as a compound with a relatively well-defined alkylating MOA that causes fibrosis. SAFETY CAUTION: allyl alcohol is a lachrymator, is readily absorbed through the skin, and can cause chemical burns to exposed organs, including eyes, lungs, and skin. |
Feedback Contact | Gold Compound Working Group (GCWG) |
Allyl alcohol | |
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Identifiers | |
Leadscope Id | LS-433 |
CAS | 107-18-6 |
ChemSpider | 13872989 |
ChEBI | 16605 |
Pathway DBs | |
KEGG | C02001 |
Assay DBs | |
PubChem CID | 7858 |
ChEMBL | 234926 |
Omics DBs | |
Open TG-Gate | 00010 |
Properties | |
ToxCast Accepted | no |
ToxBank Accepted | yes |
Approved on | 2012-05-01 |
Toxicities | Cytotoxicity,Fibrosis |
- In Vivo Data
- LIINTOP Data
- PK-ADME Data
- 'Omics and IC50 Data
- Physical Properties
- Recommended Product and Source
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Human Adverse Events
The following data table has been mined from the Adverse Events Reporting System (AERS) of the US FDA. Significant human liver events. The first column ("# Reports") is the number of reports found for the corresponding adverse event reported in the third column ("Adverse Event"). The second column ("Report:Baseline Ratio") is ratio calculated from the number of reports ("# Reports") divided by a calculated expected statistical baseline number of reports.
# Reports | Report:Baseline Ratio | Adverse Event |
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2 | 4.75867 | adenoviral hepatitis |
1 | 8.64492 | bile duct necrosis |
1 | 9.09991 | biliary fistula |
1 | 6.56576 | hepatitis infectious |
27 | 9.73229 | venoocclusive liver disease |
PubMed references
The following resource link will perform a PubMed query for the terms "Allyl alcohol" and "liver toxicity".
Allyl alcohol Search
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.
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Summary Hepatotoxic Effects from the LIINTOP FP6 Program | |||||||||||||||||||||||
References | |||||||||||||||||||||||
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References
- ↑ Feldmann, G., 2006. Liver apoptosis. Gastroenterol. Clin. Biol. 30, 533–545.
- ↑ 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.
- ↑ 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.
- ↑ 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.
- ↑ 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.
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Calculated/Predicted Properties
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The recommended source is Sigma Aldrich, product number 240532.
Allyl alcohol | |
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Source | Sigma Aldrich |
Product ID | 240532 |
Mol Weight | 58.08 |
Purity | ≥99 % |
Brand | Aldrich |
Quantity | 5 ml |
Cost | 31.3 |
Storage | Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Handle and store under inert gas. |