deisopropylatrazine : A diamino-1,3,5-triazine that is N-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. [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]
| ID Source | ID |
|---|---|
| PubMed CID | 13878 |
| CHEMBL ID | 1895845 |
| CHEBI ID | 27399 |
| SCHEMBL ID | 1425806 |
| MeSH ID | M0090234 |
| Synonym |
|---|
| desisopropylatrazine |
| unii-e8egz3s34h |
| desethylsimazine |
| 2-choro-6-ethylamino-4-amino-s-triazine |
| atrazine-desisopropyl |
| f 703 |
| e8egz3s34h , |
| 2-ceat |
| 2-chloro-4-(ethylamino)-6-amino-s-triazine |
| desethyl simazine |
| 1,5-triazine-2,4-diamine, 6-chloro-n-ethyl- |
| nsc13909 |
| nsc-13909 |
| g 28279 |
| s-triazine, 2-amino-4-chloro-6-(ethylamino)- |
| 6-chloro-n-ethyl-1,3,5-triazine-2,4-diamine |
| CHEBI:27399 , |
| 2-amino-4-chloro-6-ethylamino-s-triazine |
| 2-chloro-4-amino-6-ethylamino-s-triazine |
| 6-deisopropylatrazine |
| 2-amino-4-chloro-6-(ethylamino)-s-triazine |
| amino-2-chloro-6-ethylamino-s-triazine |
| 1007-28-9 |
| C06556 |
| deisopropylatrazine |
| atrazine-desisopropyl, analytical standard |
| NCGC00163766-01 |
| NCGC00163766-02 |
| NCGC00163766-03 |
| nsc 13909 |
| 1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl- |
| ccris 3557 |
| g-28279 |
| caswell no. 033f |
| ceat |
| 2-chloro-4-ethylamino-6-amino-s-triazine |
| deethylsimazine |
| 6-chloro-2-n-ethyl-1,3,5-triazine-2,4-diamine |
| FT-0666031 |
| NCGC00163766-04 |
| tox21_300753 |
| dtxsid0037495 , |
| NCGC00254658-01 |
| cas-1007-28-9 |
| dtxcid8017495 |
| AKOS006228875 |
| 6-chloro-n2-ethyl-1,3,5-triazine-2,4-diamine |
| desisopropyl atrazine |
| SCHEMBL1425806 |
| CHEMBL1895845 |
| IVENSCMCQBJAKW-UHFFFAOYSA-N |
| atrazine deisopropyl |
| simazine, desethyl |
| atrazine, desisopropyl |
| 1,3,5-triazine-2,4-diamine, 6-chloro-n2-ethyl- |
| deisopropyl atrazine |
| f-703 |
| atrazin-desisopropyl |
| J-000205 |
| atrazine-desisopropyl, pestanal(r), analytical standard |
| atrazine-desisopropyl d5 (ethylamino d5) 100 microg/ml in acetone |
| atrazine-desisopropyl d5 (ethylamino d5) |
| atrazine-desisopropyl 100 microg/ml in acetonitrile |
| atrazine desisopropyl 100 microg/ml in methanol |
| atrazine-desisopropyl 10 microg/ml in acetonitrile |
| 3-amino-3-(3,5-dichloro-phenyl)-propionicacid |
| deisopropylatrazine (dia) |
| detbutyl-terbutylazine |
| 6-deisopropyl atrazine |
| atrazine tp1 |
| Q22330219 |
| desisopropylatrazine-d5(ethyl-d5) |
| STARBLD0009527 |
| CS-0439692 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " An adequate description of the uptake and bioavailability of absorbed ATRA also required inclusion of additional oxidative metabolic clearance of ATRA to the mono-dealkylated metabolites occurring in GI a tract compartment." | ( Oral absorption and oxidative metabolism of atrazine in rats evaluated by physiological modeling approaches. Andersen, ME; Cranmer, BK; Hanneman, WH; McMullin, TS; Tessari, JD, 2007) | 0.34 |
| "An extensive four-year research program has been carried out to explore and acquire knowledge about the fundamental agricultural practices and processes affecting the mobility and bioavailability of pesticides in soils under semi-arid Mediterranean conditions." | ( Leaching of Br-, metolachlor, alachlor, atrazine, deethylatrazine and deisopropylatrazine in clayey vadoze zone: a field scale experiment in north-east Greece. Papadakis, EN; Papadopoulou-Mourkidou, E; Vryzas, Z, 2012) | 0.38 |
| Excerpt | Relevance | Reference |
|---|---|---|
| " Intracellular NE was significantly reduced at these same concentrations of deethylchlorotriazine at 24 h while the concentration of NE in PC12 cells exposed to deisopropylchlorotriazine was not altered at any dosage or time point measured." | ( Alteration of catecholamines in pheochromocytoma (PC12) cells in vitro by the metabolites of chlorotriazine herbicide. Cooper, RL; Das, PC; McElroy, WK, 2001) | 0.31 |
| " Here, we develop a set of physiologically based pharmacokinetic (PBPK) models that describe the influence of oral absorption and oxidative metabolism on the blood time course curves of individual chlorotriazines (Cl-TRIs) in rat after oral dosing of ATRA." | ( Oral absorption and oxidative metabolism of atrazine in rats evaluated by physiological modeling approaches. Andersen, ME; Cranmer, BK; Hanneman, WH; McMullin, TS; Tessari, JD, 2007) | 0.34 |
| Role | Description |
|---|---|
| bacterial xenobiotic metabolite | Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. |
| marine xenobiotic metabolite | Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms. |
| [role 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] | |
| Class | Description |
|---|---|
| chloro-1,3,5-triazine | A member of the class of 1,3,5-triazines that is 1,3,5-triazine substituted by at least one chloro group at unspecified position. |
| diamino-1,3,5-triazine | Any member of the class of 1,3,5-triazines that consists of a 1,3,5-triazine skeleton substituted by two amino groups. |
| [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] | |
| Pathway | Proteins | Compounds |
|---|---|---|
| atrazine degradation II | 0 | 7 |
| deethylsimazine degradation | 1 | 9 |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| GLI family zinc finger 3 | Homo sapiens (human) | Potency | 16.2652 | 0.0007 | 14.5928 | 83.7951 | AID1259392 |
| nuclear receptor subfamily 1, group I, member 3 | Homo sapiens (human) | Potency | 25.0575 | 0.0010 | 22.6508 | 76.6163 | AID1224838; AID1224893 |
| glucocorticoid receptor [Homo sapiens] | Homo sapiens (human) | Potency | 0.0891 | 0.0002 | 14.3764 | 60.0339 | AID588532 |
| retinoic acid nuclear receptor alpha variant 1 | Homo sapiens (human) | Potency | 21.6899 | 0.0030 | 41.6115 | 22,387.1992 | AID1159552; AID1159555 |
| retinoid X nuclear receptor alpha | Homo sapiens (human) | Potency | 6.6274 | 0.0008 | 17.5051 | 59.3239 | AID1159527; AID1159531 |
| farnesoid X nuclear receptor | Homo sapiens (human) | Potency | 19.4938 | 0.3758 | 27.4851 | 61.6524 | AID743220 |
| pregnane X nuclear receptor | Homo sapiens (human) | Potency | 70.7946 | 0.0054 | 28.0263 | 1,258.9301 | AID720659 |
| thyroid hormone receptor beta isoform a | Homo sapiens (human) | Potency | 0.0011 | 0.0100 | 39.5371 | 1,122.0200 | AID588547 |
| thyroid hormone receptor beta isoform 2 | Rattus norvegicus (Norway rat) | Potency | 34.3762 | 0.0003 | 23.4451 | 159.6830 | AID743066 |
| nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 61.1306 | 0.0006 | 27.2152 | 1,122.0200 | AID651741 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1347082 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347083 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347086 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| [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 (9.09) | 18.7374 |
| 1990's | 4 (36.36) | 18.2507 |
| 2000's | 4 (36.36) | 29.6817 |
| 2010's | 1 (9.09) | 24.3611 |
| 2020's | 1 (9.09) | 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 | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 13 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||