2-(methylthio)benzothiazole profile

2-methylthio-1,3-benzothiazole : An organic sulfide that is the methyl thioether of 1,3-benzothiazole-2-thiol. [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 Source	ID
PubMed CID	11989
CHEMBL ID	1303065
CHEBI ID	1217
SCHEMBL ID	316415
MeSH ID	M0052401

Synonyms (67)

Synonym
AC-19507
nsc 41046
ai3-51102
einecs 210-417-1
2748l341ky ,
nsc 5352
unii-2748l341ky
2-(methylthio)benzo[d]thiazole
2-(methylthio)benzothiazole
nsc5352
nsc-5352
benzothiazole, 2-(methylthio)-
2-(methylmercapto)benzothiazole
smr000112274
MLS000541593
nsc41046
nsc-41046
IFLAB1_004499
benzothiazolethiol, 2-methyl-
benzothiazole, mercapto-2-methyl-
usaf ek-4008
2-methyl mercaptobenzothiazole
2-methylmercaptobenzothiazole
mtbt
IDI1_010254
inchi=1/c8h7ns2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5h,1h
2-(methylthio)-1,3-benzothiazole
615-22-5
2-methylthiobenzothiazole
2-(methylthio)benzothiazole, 97%
2-(methylsulfanyl)-1,3-benzothiazole
CHEBI:1217 ,
2-methylthio-1,3-benzothiazole
2-methylsulfanyl-1,3-benzothiazole
AKOS002235202
2-mercaptobenzothiazole methyl ether
M0439
A833277
NCGC00246570-01
31621-01-9
benzothiazole, (methylthio)-
CHEMBL1303065
HMS2267P24
64036-43-7
FT-0608859
MS-1432
EPITOPE ID:138945
(methylthio)benzothiazole
methylcaptax
SCHEMBL316415
2-methylmercaptobenzthiazole
2-methylthio-benzothiazole
W-105142
2-(methylthio)benzothiozole
2-(methylsulfanyl)-1,3-benzothiazole #
DTXSID70274236
mfcd00005784
benzothiazole,(methylthio)-
CS-W023165
2-mesbth
SY037966
2-methylthio benzothiazole
Q15999703
AM9910
W11130
2-methylsulfanyl-benzothiazole
EN300-111974

Role	Description
aryl hydrocarbon receptor agonist	An agonist that binds to and activates aryl hydrocarbon receptors (AhRs).
xenobiotic metabolite	Any metabolite produced by metabolism of a xenobiotic compound.
[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
benzothiazoles
methyl sulfide	Any aliphatic sulfide in which at least one of the organyl groups attached to the sulfur is a methyl group.
[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	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Beta-lactamase	Escherichia coli K-12	Potency	0.6310	0.0447	17.8581	100.0000	AID485294
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (19)

Assay ID	Title	Year	Journal	Article
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1331616	Cytotoxicity against human PC3 cells assessed as reduction in cell viability measured after 72 hrs by MTT assay	2016	European journal of medicinal chemistry, Nov-10, Volume: 123	Chalcogen containing heterocyclic scaffolds: New hybrids with antitumoral activity.
AID1331617	Cytotoxicity against human 184B5 cells assessed as reduction in cell viability measured after 72 hrs by MTT assay	2016	European journal of medicinal chemistry, Nov-10, Volume: 123	Chalcogen containing heterocyclic scaffolds: New hybrids with antitumoral activity.
AID1331618	Selectivity index, ratio of GI50 for human 184B5 cells to GI50 for human MCF7 cells	2016	European journal of medicinal chemistry, Nov-10, Volume: 123	Chalcogen containing heterocyclic scaffolds: New hybrids with antitumoral activity.
AID1331615	Cytotoxicity against human MCF7 cells assessed as reduction in cell viability measured after 72 hrs by MTT assay	2016	European journal of medicinal chemistry, Nov-10, Volume: 123	Chalcogen containing heterocyclic scaffolds: New hybrids with antitumoral activity.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	2 (18.18)	18.7374
1990's	0 (0.00)	18.2507
2000's	2 (18.18)	29.6817
2010's	5 (45.45)	24.3611
2020's	2 (18.18)	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	11 (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
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.	2.03	1	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
benzothiazole benzothiazole: structure. benzothiazole : An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles.	2.03	1	benzothiazoles	environmental contaminant; plant metabolite; xenobiotic
thiazoles [no description available]	2.37	2	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	2.13	1	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
dehydroabietic acid dehydroabietic acid: major aquatic toxicant in effluent of pulp and paper mills. dehydroabietic acid : An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group.. dehydroabietate : A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group.	2.03	1	abietane diterpenoid; carbotricyclic compound; monocarboxylic acid	allergen; metabolite
methylselenic acid methylseleninic acid : An organoselenium compound that is seleninic acid in which the hydrogen attached to selenium is replaced by a methyl group.	2.13	1	one-carbon compound; organoselenium compound	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; human xenobiotic metabolite
lignin Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure.	2.03	1
wortmannin [no description available]	2.13	1	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
captax captax: RN given refers to parent cpd. 1,3-benzothiazole-2-thiol : 1,3-Benzothiazole substituted at the 2-position with a sulfanyl group.	2.13	1	aryl thiol; benzothiazoles	carcinogenic agent; metabolite
2,4-dithiouracil 2,4-dithiouracil: inhibitor of aspergillin biosynthesis	2.13	1
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone [no description available]	2.13	1

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	2.05	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.05	1
Plasmodium falciparum Malaria [description not available]	2.1	1
Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.	2.1	1

2-(methylthio)benzothiazole

Description

Cross-References

Synonyms (67)

Roles (2)

Drug Classes (2)

Protein Targets (1)

Potency Measurements

Bioassays (19)

Research

Studies (11)

Market Indicators

Research Demand Index: 24.97

Study Types

2-(methylthio)benzothiazole

Description

Cross-References

Synonyms (67)

Roles (2)

Drug Classes (2)

Protein Targets (1)

Potency Measurements

Bioassays (19)

Research

Studies (11)

Market Indicators

Research Demand Index: 24.97

Study Types

Related Drugs (11)

Related Conditions (4)