Page last updated: 2024-12-07

bay 93820

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

isocarbophos: an organophosphorus insecticide [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID Source	ID
PubMed CID	90479
CHEMBL ID	3185588
CHEBI ID	38704
SCHEMBL ID	117792
MeSH ID	M0045696

Synonyms (49)

Synonym
benzoic acid, 2-((aminomethoxyphosphinothioyl)oxy)-, 1-methylethyl ester
bay 93820
optunal
ai3-27659
brn 2946521
caswell no. 574b
o-methyl phosphoramidothioate, o-ester with isopropyl salicylate
salicylic acid, isopropyl ester, ester with o-methyl phosphoramidothioate
isopropyl salicylate o-ester with o-methylphosphoramidothioate
epa pesticide chemical code 574300
einecs 246-192-1
o-methylphosphoramidothioate, o-ester with isopropyl salicylate
24353-61-5
isopropyl 2-((aminomethoxyphosphinothioyl)oxy)benzoate
isopropyl o-(methoxyaminothiophosphoryl)salicylate
CHEBI:38704 ,
isocarbophos
propan-2-yl 2-{[amino(methoxy)phosphorothioyl]oxy}benzoate
propan-2-yl 2-[amino(methoxy)phosphinothioyl]oxybenzoate
unii-7741npw06x
bay-93820
7741npw06x ,
NCGC00255827-01
tox21_301328
dtxsid7042063 ,
cas-24353-61-5
dtxcid5022063
o-ester with isopropyl salicylate
o-methylphosphoramidothioate
o-methyl o-[2-(isopropoxycarbonyl)phenyl] phosphoramidothioate
phosphoramidothioic acid, o-methyl ester, o-ester with isopropyl salicylate
isocarbofos
isopropyl salicylate o-ester with o- methylphosphoramidothioate
benzoic acid, 2-((aminomethoxyphosphinothioyl)oxy)-, 1- methylethyl ester
(rs)-(o-2-isopropoxycarbonylphenyl o-methyl phosphoramidothioate)
1-methylethyl 2-((amino(methoxy)phosphinothioyl)oxy)benzoate
SCHEMBL117792
benzoic acid, 2-[(aminomethoxyphosphinothioyl)oxy]-, 1-methylethyl ester
YFVOXLJXJBQDEF-UHFFFAOYSA-N
Q-201253
CHEMBL3185588
isocarbophos, pestanal(r), analytical standard
isocarbofos 10 microg/ml in cyclohexane
isocarbofos 100 microg/ml in cyclohexane
pesticide1_isocarbophos_c11h16no4ps_benzoic acid, 2-[(aminomethoxyphosphinothioyl)oxy]-, 1-methylethyl ester
isopropyl 2-(amino(methoxy)phosphorothioyloxy)benzoate
Q27117953
isocarbofos 1000 microg/ml in acetone
ZAA35361

Research Excerpts

Toxicity

Excerpt	Reference	Relevance
" The results of cell viability assay and cytoflow assay indicated an obvious enantioselective hepatocyte toxicity of ICP: (-)-ICP was about two times more toxic than (+)-ICP in Hep G2 cells."	( Enantioselective cytotoxicity of isocarbophos is mediated by oxidative stress-induced JNK activation in human hepatocytes. Li, L; Liu, H; Liu, J; Liu, W; Xu, L; Zhou, S, 2010)	0.36
" Based on the toxic unit analysis, the toxic interaction of ICP enantiomers for target pests was synergistic effect, while for non-target fish was concentration addition or antagonistic effect."	( A systemic study of enantioselectivity of isocarbophos in rice cultivation: Enantioselective bioactivity, toxicity, and environmental fate. Cang, T; Di, S; Qi, P; Wang, Q; Wang, X; Wang, Z; Xu, H; Xu, M, 2019)	0.51
" Based on the toxic unit analysis, the additive effect and synergistic effect of ICP enantiomers were found in the four nontarget organisms, and R-(-)-ICP might cooperate the side-effects of S-(+)-ICP."	( Comprehensive Study of Isocarbophos to Various Terrestrial Organisms: Enantioselective Bioactivity, Acute Toxicity, and Environmental Behaviors. Cang, T; Di, S; Qi, P; Wang, Q; Wang, X; Wang, Z; Xu, H; Xu, M, 2019)	0.51

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (3)

Role	Description
EC 3.1.1.7 (acetylcholinesterase) inhibitor	An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
agrochemical	An agrochemical is a substance that is used in agriculture or horticulture.
avicide	A substance used to destroy bird pests (class Aves).
[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]

Drug Classes (5)

Class	Description
organothiophosphate insecticide
organic phosphonate
phosphonic ester	A phosphonic acid derivative in which one or both OH groups have been esterified.
salicylates	Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.
isopropyl ester	Any carboxylic ester resulting from the formal condensation of a carboxylic acid with the hydroxy group of propan-2-ol.
[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 Targets (4)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
acetylcholinesterase	Homo sapiens (human)	Potency	46.0921	0.0025	41.7960	15,848.9004	AID1347395; AID1347399
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	15.8859	0.0010	22.6508	76.6163	AID1224838; AID1224839; AID1224893
pregnane X nuclear receptor	Homo sapiens (human)	Potency	30.6379	0.0054	28.0263	1,258.9301	AID1346982
aryl hydrocarbon receptor	Homo sapiens (human)	Potency	55.9333	0.0007	23.0674	1,258.9301	AID743085; AID743122
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (26)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	1 (3.85)	18.7374
1990's	0 (0.00)	18.2507
2000's	2 (7.69)	29.6817
2010's	17 (65.38)	24.3611
2020's	6 (23.08)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 11.93

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

Metric	This Compound (vs All)
Research Demand Index	11.93 (24.57)
Research Supply Index	3.30 (2.92)
Research Growth Index	5.23 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (11.93)

All Compounds (24.57)

Study Types

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	26 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
huperzine a huperzine A: RN given refers to 5R-(5alpha,9beta,11E)-isomer; structure given in first source. huperzine A : A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. It is also an effective inhibitor of acetylcholinesterase and has attracted interest as a therapeutic candidate for Alzheimer's disease.	2.46	2	quinolone
malathion Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes.. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites.. diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group.	4.61	23	diester; ethyl ester; organic thiophosphate
luminol Luminol: 5-Amino-2,3-dihydro-1,4-phthalazinedione. Substance that emits light on oxidation. It is used in chemical determinations.	2.07	1
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	2.31	1	dialdehyde	biomarker
phosmet Phosmet: An organothiophosphorus insecticide that has been used to control pig mange.	2.05	1	organic thiophosphate; organothiophosphate insecticide; phthalimides	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.	2.82	2	copper group element atom; elemental silver	Escherichia coli metabolite
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.	2.21	1	copper group element atom; elemental gold
zirconium Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr.	2.41	1	titanium group element atom
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	2.08	1	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
profenofos [no description available]	2.05	1	monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
eliprodil 1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidin-1-yl]ethanol : A member of the class of piperidines that is piperidine substituted by a 2-(4-chlorophenyl)-2-hydroxyethyl group at position 1 and by a 4-fluorobenzyl group at position 4.	2.17	1	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
vitamin b 6 Vitamin B 6: VITAMIN B 6 refers to several PICOLINES (especially PYRIDOXINE; PYRIDOXAL; & PYRIDOXAMINE) that are efficiently converted by the body to PYRIDOXAL PHOSPHATE which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, and aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into PYRIDOXAMINE phosphate. Although pyridoxine and Vitamin B 6 are still frequently used as synonyms, especially by medical researchers, this practice is erroneous and sometimes misleading (EE Snell; Ann NY Acad Sci, vol 585 pg 1, 1990). Most of vitamin B6 is eventually degraded to PYRIDOXIC ACID and excreted in the urine.	2.63	2
sesquiterpenes [no description available]	2.46	2
sphingosine sphing-4-enine : A sphingenine in which the C=C double bond is located at the 4-position.. sphingenine : A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.. sphingoid : Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.. 2-aminooctadec-4-ene-1,3-diol : A 2-aminooctadecene-1,3-diol having its double bond at position 4.	2.31	1	sphing-4-enine	human metabolite; mouse metabolite
sphingosine 1-phosphate sphingosine 1-phosphate: RN given refers to (R-(R,S-(E)))-isomer; RN for cpd without isomeric designation not available 8/89. sphingosine 1-phosphate : A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1	2.31	1	sphingoid 1-phosphate	mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent
germanium Germanium: A rare metal element with a blue-gray appearance and atomic symbol Ge, atomic number 32, and atomic weight 72.63.	2.21	1	carbon group element atom; metalloid atom; nonmetal atom
phoxim phoxim: structure	2.46	2
oligonucleotides [no description available]	2.21	1
piperidines Piperidines: A family of hexahydropyridines.	2.17	1
salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid.	2.38	2	monohydroxybenzoate	plant metabolite

Condition	Relationship Strength	Studies
Anoxemia [description not available]	2.31	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.31	1
Arterial Diseases, Cerebral [description not available]	2.31	1
Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms.	2.31	1
Cerebral Arterial Diseases Pathological conditions of intracranial ARTERIES supplying the CEREBRUM. These diseases often are due to abnormalities or pathological processes in the ANTERIOR CEREBRAL ARTERY; MIDDLE CEREBRAL ARTERY; and POSTERIOR CEREBRAL ARTERY.	2.31	1
Blood Pressure, High [description not available]	2.17	1
Acute Onset Vascular Dementia [description not available]	2.17	1
Hypertension Persistently high systemic arterial BLOOD PRESSURE. Based on multiple readings (BLOOD PRESSURE DETERMINATION), hypertension is currently defined as when SYSTOLIC PRESSURE is consistently greater than 140 mm Hg or when DIASTOLIC PRESSURE is consistently 90 mm Hg or more.	2.17	1
Dementia, Vascular An imprecise term referring to dementia associated with CEREBROVASCULAR DISORDERS, including CEREBRAL INFARCTION (single or multiple), and conditions associated with chronic BRAIN ISCHEMIA. Diffuse, cortical, and subcortical subtypes have been described. (From Gerontol Geriatr 1998 Feb;31(1):36-44)	2.17	1
Organophosphorus Poisoning [description not available]	2.08	1
Organophosphate Poisoning Poisoning due to exposure to ORGANOPHOSPHORUS COMPOUNDS, such as ORGANOPHOSPHATES; ORGANOTHIOPHOSPHATES; and ORGANOTHIOPHOSPHONATES.	2.08	1
Cognitive Decline [description not available]	2.13	1
Cognitive Dysfunction Diminished or impaired mental and/or intellectual function.	2.13	1

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