Page last updated: 2024-12-06

2-aminosulfonyl-benzoic acid methyl ester

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

Description

2-aminosulfonyl-benzoic acid methyl ester : A benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl. [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]

Cross-References

ID SourceID
PubMed CID42546
CHEMBL ID148680
CHEBI ID83512
SCHEMBL ID2181057

Synonyms (60)

Synonym
HMS1755G08
EN300-15722
2-carbomethoxybenzenesulfonamide
methyl 2-(aminosulfonyl)benzoate
einecs 260-903-2
2-sulfamoylbenzoic acid methyl ester
brn 2728611
benzoic acid, 2-sulfamoyl-, methyl ester
methyl o-sulphamoylbenzoate
methyl 2-sulfamoylbenzoate
chembl148680 ,
2-carboxymethylbenzenesulfonamide 5
bdbm12152
methyl 2-(aminosulfonyl)benzoate, 98%
OPREA1_417687
STK325194
57683-71-3
M1866
2-sulfonamidobenzoic acid methyl ester
methyl 2-sulfonamidobenzoate
2-(aminosulfonyl)benzoic acid methyl ester
2-sulfamoyl-benzoic acid methyl ester
chebi:83512 ,
AKOS001048774
methyl 2-sulfamoylbenzoate;methyl 2-(aminosulfonyl)benzoate
A831553
A8216
BBL004027
methyl2-sulfamoylbenzoate
0-11-00-00377 (beilstein handbook reference)
benzoic acid, 2-(aminosulfonyl)-, methyl ester
FT-0613413
2-sulfamylbenzoic acid methylester
methyl 2-(aminosulfonyl)-benzoate
2-methoxycarbonylbenzenesulfonamide
(2-methoxycarbonyl)benzene sulfonamide
2-(methoxycarbonyl)benzenesulphonamide
2-methoxycarbonylphenylsulfonamide
2-aminosulfonyl-benzoic acid methyl ester
SCHEMBL2181057
STR09073
2-carbomethoxybenzene sulphonamide
mfcd00009808
DTXSID9074062
J-521857
Z45415592
W18655
CS-W014895
metsulfuron-methyl tp1
ester sulfonamide (in-d5803)
methyl-2-(aminosulfonyl)benzoate
m05 (mkh 651 sulfonamide methyl ester)
propoxycarbazone tp1
Q27156899
AMY19487
methyl2-(aminosulfonyl)benzoate
2-sulfamoylbenzoic aicd methyl ester
SB76772
PD180721
SY048501
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
marine xenobiotic metaboliteAny 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]

Drug Classes (3)

ClassDescription
benzoate esterEsters of benzoic acid or substituted benzoic acids.
sulfonamideAn amide of a sulfonic acid RS(=O)2NR'2.
methyl esterAny carboxylic ester resulting from the formal condensation of a carboxy group with methanol.
[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)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Carbonic anhydrase 1Homo sapiens (human)Ki18.17500.00001.372610.0000AID1796855; AID238753
Carbonic anhydrase 2Homo sapiens (human)IC50 (µMol)73.90000.00021.10608.3000AID241604
Carbonic anhydrase 2Homo sapiens (human)Ki9.33000.00000.72369.9200AID1796855; AID238768
Carbonic anhydrase 5A, mitochondrialHomo sapiens (human)IC50 (µMol)53.20000.02003.10819.4000AID241574
Carbonic anhydrase 9Homo sapiens (human)Ki9.39500.00010.78749.9000AID1796855; AID238769
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (15)

Processvia Protein(s)Taxonomy
one-carbon metabolic processCarbonic anhydrase 1Homo sapiens (human)
morphogenesis of an epitheliumCarbonic anhydrase 2Homo sapiens (human)
positive regulation of synaptic transmission, GABAergicCarbonic anhydrase 2Homo sapiens (human)
positive regulation of cellular pH reductionCarbonic anhydrase 2Homo sapiens (human)
angiotensin-activated signaling pathwayCarbonic anhydrase 2Homo sapiens (human)
regulation of monoatomic anion transportCarbonic anhydrase 2Homo sapiens (human)
secretionCarbonic anhydrase 2Homo sapiens (human)
regulation of intracellular pHCarbonic anhydrase 2Homo sapiens (human)
neuron cellular homeostasisCarbonic anhydrase 2Homo sapiens (human)
positive regulation of dipeptide transmembrane transportCarbonic anhydrase 2Homo sapiens (human)
regulation of chloride transportCarbonic anhydrase 2Homo sapiens (human)
carbon dioxide transportCarbonic anhydrase 2Homo sapiens (human)
one-carbon metabolic processCarbonic anhydrase 2Homo sapiens (human)
one-carbon metabolic processCarbonic anhydrase 5A, mitochondrialHomo sapiens (human)
response to hypoxiaCarbonic anhydrase 9Homo sapiens (human)
morphogenesis of an epitheliumCarbonic anhydrase 9Homo sapiens (human)
response to xenobiotic stimulusCarbonic anhydrase 9Homo sapiens (human)
response to testosteroneCarbonic anhydrase 9Homo sapiens (human)
secretionCarbonic anhydrase 9Homo sapiens (human)
one-carbon metabolic processCarbonic anhydrase 9Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (7)

Processvia Protein(s)Taxonomy
arylesterase activityCarbonic anhydrase 1Homo sapiens (human)
carbonate dehydratase activityCarbonic anhydrase 1Homo sapiens (human)
protein bindingCarbonic anhydrase 1Homo sapiens (human)
zinc ion bindingCarbonic anhydrase 1Homo sapiens (human)
hydro-lyase activityCarbonic anhydrase 1Homo sapiens (human)
cyanamide hydratase activityCarbonic anhydrase 1Homo sapiens (human)
arylesterase activityCarbonic anhydrase 2Homo sapiens (human)
carbonate dehydratase activityCarbonic anhydrase 2Homo sapiens (human)
protein bindingCarbonic anhydrase 2Homo sapiens (human)
zinc ion bindingCarbonic anhydrase 2Homo sapiens (human)
cyanamide hydratase activityCarbonic anhydrase 2Homo sapiens (human)
carbonate dehydratase activityCarbonic anhydrase 5A, mitochondrialHomo sapiens (human)
zinc ion bindingCarbonic anhydrase 5A, mitochondrialHomo sapiens (human)
carbonate dehydratase activityCarbonic anhydrase 9Homo sapiens (human)
protein bindingCarbonic anhydrase 9Homo sapiens (human)
zinc ion bindingCarbonic anhydrase 9Homo sapiens (human)
molecular function activator activityCarbonic anhydrase 9Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (12)

Processvia Protein(s)Taxonomy
cytosolCarbonic anhydrase 1Homo sapiens (human)
extracellular exosomeCarbonic anhydrase 1Homo sapiens (human)
cytoplasmCarbonic anhydrase 2Homo sapiens (human)
cytosolCarbonic anhydrase 2Homo sapiens (human)
plasma membraneCarbonic anhydrase 2Homo sapiens (human)
myelin sheathCarbonic anhydrase 2Homo sapiens (human)
apical part of cellCarbonic anhydrase 2Homo sapiens (human)
extracellular exosomeCarbonic anhydrase 2Homo sapiens (human)
cytoplasmCarbonic anhydrase 2Homo sapiens (human)
plasma membraneCarbonic anhydrase 2Homo sapiens (human)
apical part of cellCarbonic anhydrase 2Homo sapiens (human)
mitochondrial matrixCarbonic anhydrase 5A, mitochondrialHomo sapiens (human)
mitochondrionCarbonic anhydrase 5A, mitochondrialHomo sapiens (human)
cytoplasmCarbonic anhydrase 5A, mitochondrialHomo sapiens (human)
mitochondrionCarbonic anhydrase 5A, mitochondrialHomo sapiens (human)
nucleolusCarbonic anhydrase 9Homo sapiens (human)
plasma membraneCarbonic anhydrase 9Homo sapiens (human)
membraneCarbonic anhydrase 9Homo sapiens (human)
basolateral plasma membraneCarbonic anhydrase 9Homo sapiens (human)
microvillus membraneCarbonic anhydrase 9Homo sapiens (human)
plasma membraneCarbonic anhydrase 9Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (12)

Assay IDTitleYearJournalArticle
AID241574Inhibitory concentration against human cystolic isozyme V of Carbonic anhydrase2004Bioorganic & medicinal chemistry letters, Nov-15, Volume: 14, Issue:22
Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives.
AID241604Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase2004Bioorganic & medicinal chemistry letters, Nov-15, Volume: 14, Issue:22
Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives.
AID244146Selectivity for Carbonic anhydrase II to that of Carbonic anhydrase V2004Bioorganic & medicinal chemistry letters, Nov-15, Volume: 14, Issue:22
Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives.
AID50176Binding affinity against human carbonic anhydrase (hCA).1999Journal of medicinal chemistry, Dec-16, Volume: 42, Issue:25
Simple linear QSAR models based on quantum similarity measures.
AID238769Inhibitory activity against Carbonic anhydrase IX2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/membrane-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating hydrazino moieties.
AID243144Partition coefficient (logP)2005Bioorganic & medicinal chemistry letters, Feb-15, Volume: 15, Issue:4
QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II.
AID238768Inhibitory activity against Carbonic anhydrase II2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/membrane-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating hydrazino moieties.
AID243139Binding constant against human Carbonic anhydrase II2005Bioorganic & medicinal chemistry letters, Feb-15, Volume: 15, Issue:4
QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II.
AID238753Inhibitory activity against Carbonic anhydrase I2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/membrane-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating hydrazino moieties.
AID1796855CA Inhibition Assay from Article 10.1021/jm0494826: \\Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/membrane-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating hydrazino moieties.\\2005Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6
Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/membrane-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating hydrazino moieties.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's1 (16.67)18.2507
2000's3 (50.00)29.6817
2010's2 (33.33)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.84

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.

MetricThis Compound (vs All)
Research Demand Index12.84 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.78 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.84)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]