Details
Stereochemistry | ACHIRAL |
Molecular Formula | C7H12ClN5 |
Molecular Weight | 201.657 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCNC1=NC(NCC)=NC(Cl)=N1
InChI
InChIKey=ODCWYMIRDDJXKW-UHFFFAOYSA-N
InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
Molecular Formula | C7H12ClN5 |
Molecular Weight | 201.657 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/17193734Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/28486186 | https://www.ncbi.nlm.nih.gov/pubmed/25078261 | https://www.ncbi.nlm.nih.gov/pubmed/26955487
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17193734
Curator's Comment: The description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/28486186 | https://www.ncbi.nlm.nih.gov/pubmed/25078261 | https://www.ncbi.nlm.nih.gov/pubmed/26955487
Simazine is a selective triazine herbicide, that used to control broad-leaved weeds and annual grasses in a field, berry fruit, vegetable and ornamental crops, on turfgrass, and in orchards and vineyards. At higher rates, it is used for nonselective weed control in industrial areas. Before 1992, simazine was used to control submerged weeds and algae in large aquariums, farm ponds, fish hatcheries, swimming pools, ornamental ponds and cooling towers. Simazine is available in wettable powder, water dispersible granule, liquid and granular formulations. Simazine is highly toxic if inhaled, moderately toxic if ingested, and slightly toxic via dermal exposure. No cases of poisoning in humans have been reported from ingestion of Simazine.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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Target ID: GO:0015979 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17193734 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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PubMed
Title | Date | PubMed |
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The inhibition of estrogen receptor-mediated responses by chloro-S-triazine-derived compounds is dependent on estradiol concentration in yeast. | 1996 Oct 3 |
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Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens. | 2001 Mar |
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Effects of chloro-s-triazine herbicides and metabolites on aromatase activity in various human cell lines and on vitellogenin production in male carp hepatocytes. | 2001 Oct |
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Prostate cancer risk in California farm workers. | 2003 Mar |
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Measured concentrations of herbicides and model predictions of atrazine fate in the Patuxent River estuary. | 2004 Mar-Apr |
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Transgenic rice plants expressing human CYP1A1 remediate the triazine herbicides atrazine and simazine. | 2005 Nov 2 |
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Simazine biodegradation in soil: analysis of bacterial community structure by in situ hybridization. | 2005 Sep |
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Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | 2006 Nov |
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Occurrence and fate of pesticides in four contrasting agricultural settings in the United States. | 2008 May-Jun |
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Impact of environmental chemicals on key transcription regulators and correlation to toxicity end points within EPA's ToxCast program. | 2010 Mar 15 |
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In vivo alternative assessment of the chemicals that interfere with anterior pituitary POMC expression and interrenal steroidogenesis in POMC: EGFP transgenic zebrafish. | 2010 Nov 1 |
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Activity profiles of 309 ToxCastβ’ chemicals evaluated across 292 biochemical targets. | 2011 Mar 28 |
Sample Use Guides
Rats and guinea pigs fed 100 mg/kg daily for 6 months had decreased weight gain, increased white blood cell counts, decreased blood cholinesterase activity and deterioration and inflammation of the stomach. In a 28-day study, oral doses of 2,500 mg/kg/day to rats resulted in stomach ulcers, damage to the small intestine, and death
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26955487
MCF-7 and MDA-MB-231 cells were seeded into 96-well plates either in maintenance media (MCF-7 and MDA-MB-231) or in reduced media (MCF-7). Twenty-four hours after plating, the media were replaced with maintenance (MCF-7 and MDA-MB-231) or reduced (MCF-7) media containing atrazine, simazine, or cyanazine at 0.1-, 1-, and 10-fold the EPA safe levels or DMSO control. Atrazine was added at 0.3, 3.0, or 30 ppb (πg/L; 0.64β64 πM), cyanazine was added at 0.1, 1.0, or 10 ppb (0.17β17 πM), and simazine was added at 0.4, 4.0, or 40 ppb (0.92β92 πM). After twenty-four hours, 3 πg resazurin was added and allowed to incubate for three hours prior to reading absorbance at 570 and 595nm on iMark Microplate Absorbance Reader (Bio-Rad, Hercules, CA).We performed univariate analysis of variance (ANOVA) using SPSS
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:02:39 GMT 2023
by
admin
on
Fri Dec 15 15:02:39 GMT 2023
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Record UNII |
SG0C34SMY3
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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EPA PESTICIDE CODE |
80807
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admin on Fri Dec 15 15:02:39 GMT 2023 , Edited by admin on Fri Dec 15 15:02:39 GMT 2023
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SIMAZINE
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100000137488
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27496
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25999
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SG0C34SMY3
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122-34-9
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SUB75773
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m9942
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DTXSID4021268
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5216
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204-535-2
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simazine
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1765
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D012839
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