tocoretinate: a hybrid compound composed of alpha-tocopherol esterified with retinoic acid; RN refers to (2R*(4R*,8R*)-(+-))-isomer [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 5282180 |
| CHEMBL ID | 262520 |
| CHEBI ID | 32240 |
| SCHEMBL ID | 668391 |
| MeSH ID | M0237532 |
| Synonym |
|---|
| AC-790 |
| retinoic acid, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl ester, (2r-(2r*(4r*,8r*)))- |
| tocopheryl retinoate |
| toco-retinoate |
| alpha-tocopheryl retinoate |
| N021 , |
| L300 , |
| NCGC00181354-01 , |
| tretinoin tocoferil |
| tocoretinate |
| 40516-48-1 |
| tretinoin tocoferil (jan) |
| D01516 |
| chebi:32240 , |
| CHEMBL262520 |
| AC1NQZMB , |
| [(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate |
| tox21_112812 |
| cas-40516-48-1 |
| dtxcid4026923 |
| dtxsid6046923 , |
| ctd060b1ss , |
| (+-)-(2r*)-2,5,7,8-tetramethyl-2-((4r*,8r*)-4,8,12-trimethyltridecyl)-6-chromanyl retinoate |
| unii-ctd060b1ss |
| tretinoin tocoferil [inn] |
| unii-0wn694nbmm |
| 0wn694nbmm , |
| 40516-49-2 |
| AKOS015961939 |
| l-300 |
| n-021 |
| d-.alpha.-tocopherol retinoate |
| d-.alpha.-tocopheryl retinoate |
| tocopheryl retinoate [inci] |
| retinoic acid, (2r)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4r,8r)-4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl ester |
| .alpha.-tocopheryl retinoate |
| SCHEMBL668391 |
| tretinoin tocoferil [who-dd] |
| retinoic acid, (2r)-3,4-dihydro-2,5,7,8-tetramethyl-2-((4r,8r)-4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl ester, (+/-)- |
| tretinoin tocoferil [jan] |
| (+/-)-(2r*)-2,5,7,8-tetramethyl-2-((4r*,8r*)-4,8,12-trimethyltridecyl)-6-chromanyl retinoate |
| retinoic acid .alpha.-tocopheryl ester [mi] |
| retinoic acid, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl ester, (2r*(4r*,8r*))-(+/-)- |
| tocoretinate [mi] |
| tocoretinate [jan] |
| [(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chroman-6-yl] (2e,4e,6e,8e)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate |
| tocorretinate |
| dl-alpha-tocopheryl retinoate |
| (2e,4e,6e,8e)-((r)-2,5,7,8-tetramethyl-2-((4r,8r)-4,8,12-trimethyltridecyl)chroman-6-yl) 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate |
| Q27114835 |
| d-alpha-tocopheryl retinoate |
| dl-alpha-tocopherylretinoate |
| Excerpt | Relevance | Reference |
|---|---|---|
| " Pretreatment with TR enhanced the effect of EGF on DNA synthesis but did not change the dose-response relationship for EGF-mediated DNA synthesis." | ( Enhancement by tocoretinate of epidermal growth factor-induced DNA synthesis in human intestinal epithelial cells. Kawamura, N; Kojima, I; Kurokawa, K; Miki, K, 1994) | 0.29 |
| Class | Description |
|---|---|
| tocol | A chromanol with a chroman-6-ol skeleton that is substituted at position 2 by a saturated or triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 8.2989 | 0.0002 | 29.3054 | 16,493.5996 | AID743079; AID743080; AID743091 |
| cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a | Homo sapiens (human) | Potency | 3.3491 | 0.0017 | 23.8393 | 78.1014 | AID743083 |
| thyroid hormone receptor beta isoform 2 | Rattus norvegicus (Norway rat) | Potency | 3.2091 | 0.0003 | 23.4451 | 159.6830 | AID743065; AID743067 |
| peripheral myelin protein 22 | Rattus norvegicus (Norway rat) | Potency | 5.7255 | 0.0056 | 12.3677 | 36.1254 | AID624032 |
| Cellular tumor antigen p53 | Homo sapiens (human) | Potency | 0.3758 | 0.0023 | 19.5956 | 74.0614 | AID651631 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
| AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID504749 | qHTS profiling for inhibitors of Plasmodium falciparum proliferation | 2011 | Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043 | Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets. |
| AID85200 | In vitro inhibitory activity tested for reverse keratinization of epithelial cells in hamster trachael organ assay at 10E-9 M concentration; (Activity culture/total culture 1/6) | 1982 | Journal of medicinal chemistry, Jan, Volume: 25, Issue:1 | Syntheses and activities of antioxidant derivatives of retinoic acids. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 1 (5.56) | 18.7374 |
| 1990's | 6 (33.33) | 18.2507 |
| 2000's | 3 (16.67) | 29.6817 |
| 2010's | 7 (38.89) | 24.3611 |
| 2020's | 1 (5.56) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 2 (10.53%) | 6.00% |
| Case Studies | 3 (15.79%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 14 (73.68%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||