Gene Association: ACSBG2
UniProt Search:
ACSBG2 (PROTEIN_CODING)
Function Description: acyl-CoA synthetase bubblegum family member 2
found 6 associated metabolites with current gene based on the text mining result from the pubmed database.
Desethyl atrazine
Des-ethyl atrazine (DEA) can cause developmental toxicity and female reproductive toxicity according to The Environmental Protection Agency (EPA).
Deethylatrazine is a chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group. It has a role as a marine xenobiotic metabolite. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine. It is functionally related to a 6-chloro-1,3,5-triazine-2,4-diamine.
Structural Features:
Triazine Ring:
The compound contains a 1,3,5-triazine ring, which is a six-membered ring with nitrogen atoms at positions 1, 3, and 5. This ring is substituted at the 2 and 4 positions.
Triazine rings are core structures in many pesticides and pharmaceutical molecules, exhibiting a wide range of biological activities.
Chlorine Substitution:
There is a chlorine atom substituted at the 6 position of the triazine ring, which can influence the compound's electronic distribution and lipophilicity.
Isopropyl Substitution:
An isopropyl group (-N(C(C)C) is substituted at the 2 position of the triazine ring, increasing the molecule's volume and lipophilicity.
Amino Group Substitution:
An amino group (-N) is substituted at the 4 position of the triazine ring, providing potential basic characteristics and hydrophilicity to the compound.
Possible Biological Functions or Drug Activities:
Herbicidal Activity:
Triazine compounds are often used as herbicides, such as Atrazine, which kill weeds by inhibiting photosystem II in the photosynthesis process of plants.
Antibacterial and Antifungal Activity:
The triazine ring structure has potential antibacterial and antifungal activities, possibly by interfering with microbial metabolic pathways.
Antiviral Activity:
Some triazine compounds exhibit antiviral activity, potentially by inhibiting specific stages of the viral replication cycle.
Anticancer Activity:
Triazine compounds are also being researched for anticancer drug development, possibly by inhibiting the growth of tumor cells or inducing apoptosis.
Enzyme Inhibition:
The compound may act as an enzyme inhibitor by binding to the active site of enzymes, thereby regulating metabolic pathways within organisms.
Receptor Antagonist or Agonist:
Due to its structural features, the compound may act as a receptor antagonist or agonist, binding to receptors in biological systems and regulating signaling pathways.
Considerations:
Toxicity: Triazine compounds may have toxicity, and their safety for the environment and organisms needs to be evaluated.
Metabolic Stability: The metabolic stability of the compound affects its effectiveness and safety as a drug.
Selectivity: The selectivity of the compound is important to ensure it acts only on target organisms or cells without affecting non-target organisms or cells.
In summary, based on its structural features, this compound may have a variety of biological functions or drug activities. However, the specific mechanisms of action and effects would need to be validated through experimental research.
Deethylatrazine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=6190-65-4 (retrieved 2025-02-10) (CAS RN: 6190-65-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7123; ORIGINAL_PRECURSOR_SCAN_NO 7121
CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7114; ORIGINAL_PRECURSOR_SCAN_NO 7112
CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7136; ORIGINAL_PRECURSOR_SCAN_NO 7132
CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7127; ORIGINAL_PRECURSOR_SCAN_NO 7125
CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7139; ORIGINAL_PRECURSOR_SCAN_NO 7137
CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7129; ORIGINAL_PRECURSOR_SCAN_NO 7127
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine is a major soil metabolite of Atrazine
Clofenvinfos
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D056810 - Acaricides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
Bis(4-nitrophenyl) hydrogen phosphate
D004791 - Enzyme Inhibitors KEIO_ID B069
Toxoflavin
A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.
Deethylatrazine
A chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group.
