Page last updated: 2024-12-05

butyl isothiocyanate

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

Description

Butyl isothiocyanate (BITC) is a naturally occurring compound found in cruciferous vegetables like broccoli, cabbage, and cauliflower. It is known for its pungent, mustard-like aroma. BITC is synthesized through a chemical reaction involving the condensation of an amine with carbon disulfide and subsequent treatment with an alkyl halide. It has been extensively studied for its diverse biological activities, including anticancer, anti-inflammatory, and antimicrobial properties. The compound is believed to exert its effects through various mechanisms, including modulation of cellular signaling pathways, induction of apoptosis, and inhibition of enzymatic activities. BITC has shown promising results in preclinical studies against various cancer cell lines, and its potential as a therapeutic agent is being explored in ongoing research. The study of BITC is crucial for understanding its potential health benefits and exploring its application in medicine and food science.'

butyl isothiocyanate : An isothiocyanate having a butyl group attached to the nitrogen. [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 CID11613
CHEMBL ID1814588
CHEBI ID50534
SCHEMBL ID152568
MeSH IDM0117399

Synonyms (47)

Synonym
unii-4y31800s6c
4y31800s6c ,
1-isothiocyanato-butane
butane, 1-isothiocyanato-
isothiocyanic acid, butyl ester
nsc194808
nsc-194808
n-butyl isothiocyanate
butyl isothiocyanate
592-82-5
1-isothiocyanatobutane
ai3-18424
nsc 194808
einecs 209-770-4
butyl isothiocyanate, 99%
AKOS000118861
isothiocyanic acid butyl ester
I0249
A832240
chebi:50534 ,
CHEMBL1814588
isothiocyanic acid n-butyl ester
buncs
butylsenfoel
FT-0607991
butyl isothiocyanate [usp-rs]
butyl isothiocyanate [fhfi]
fema no. 4082
n-butylisothiocyanate
butylisothiocyanate
n-butyl-isothiocyanate
SCHEMBL152568
DTXSID7060467
1-butyl isothiocyanate
J-670003
1-isothiocyanatobutane #
n-butyl isothio cyanate
mfcd00004824
J-801002
butyl isothiocyanate, united states pharmacopeia (usp) reference standard
butyl isothiocyanate, analytical standard
butyl isothiocyanate, 8ci
F1915-0013
Q27122105
D91107
EN300-19446
Z104473876
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
haptenAny substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
[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 (1)

ClassDescription
isothiocyanateAn organosulfur compound with the general formula R-N=C=S.
[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]

Bioassays (39)

Assay IDTitleYearJournalArticle
AID1105244Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in volatile phase at 84 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105127Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in contact phase measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105093In vivo antifungal Sclerotinia sclerotiorum in Pepper (Capsicum annuum L. cv. Sera Demre) assessed as inhibition of mycelial growth in volatile phase at 168 umol/L measured after 10 to 14 weeks2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105242Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in volatile phase at 588 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID611162Antiproliferative activity against doxorubicin-resistant human LoVo cells after 72 hrs by SRB assay2011Bioorganic & medicinal chemistry letters, Aug-01, Volume: 21, Issue:15
Synthesis and antiproliferative activity of novel α- and β-dialkoxyphosphoryl isothiocyanates.
AID1105173Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of germination in volatile phase at 844 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105114Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of carpogenic germination in volatile phase at 422 umol/l measured at 20 degC after 5 days relative to control2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105245Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in volatile phase at 42 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1474541Cytotoxicity against human LoVo cells after 72 hrs by sulforhodamine B assay2017European journal of medicinal chemistry, May-26, Volume: 132Novel phosphonate analogs of sulforaphane: Synthesis, in vitro and in vivo anticancer activity.
AID1105177Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of germination in volatile phase at 42 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID611159Antiproliferative activity against human T47D cells after 72 hrs by SRB assay2011Bioorganic & medicinal chemistry letters, Aug-01, Volume: 21, Issue:15
Synthesis and antiproliferative activity of novel α- and β-dialkoxyphosphoryl isothiocyanates.
AID1474542Cytotoxicity against human LoVo/DX cells after 72 hrs by sulforhodamine B assay2017European journal of medicinal chemistry, May-26, Volume: 132Novel phosphonate analogs of sulforaphane: Synthesis, in vitro and in vivo anticancer activity.
AID1105137Fungitoxic activity in Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in contact phase at 2531 umol/l measured at 20 degC after 5 days relative to control2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID611158Antiproliferative activity against human A549 cells after 72 hrs by SRB assay2011Bioorganic & medicinal chemistry letters, Aug-01, Volume: 21, Issue:15
Synthesis and antiproliferative activity of novel α- and β-dialkoxyphosphoryl isothiocyanates.
AID1105212Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in contact phase at 591 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105209Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in contact phase at 1688 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105115Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of carpogenic germination in volatile phase at 84 umol/l measured at 20 degC after 5 days relative to control2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105241Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in volatile phase at 840 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105126Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in volatile phase measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105174Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of germination in volatile phase at 422 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105176Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of germination in volatile phase at 84 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105116Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of carpogenic germination in volatile phase at 42 umol/l measured at 20 degC after 5 days relative to control2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1396798Antiproliferative activity against human LoVo cells after 72 hrs by SRB assay2018Bioorganic & medicinal chemistry letters, 08-15, Volume: 28, Issue:15
Phosphorus-containing isothiocyanate-derived mercapturic acids as a useful alternative for parental isothiocyanates in experimental oncology.
AID611161Antiproliferative activity against human LoVo cells after 72 hrs by SRB assay2011Bioorganic & medicinal chemistry letters, Aug-01, Volume: 21, Issue:15
Synthesis and antiproliferative activity of novel α- and β-dialkoxyphosphoryl isothiocyanates.
AID611160Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay2011Bioorganic & medicinal chemistry letters, Aug-01, Volume: 21, Issue:15
Synthesis and antiproliferative activity of novel α- and β-dialkoxyphosphoryl isothiocyanates.
AID1105210Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in contact phase at 844 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1271567Antiproliferative activity against human LoVo/DX cells assessed as reduction in cell viability after 72 hrs by SRB assay2016Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2
Synthesis and biological activity of diisothiocyanate-derived mercapturic acids.
AID1105208Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in contact phase at 2531 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1396799Antiproliferative activity against human LoVo/DX cells after 72 hrs by SRB assay2018Bioorganic & medicinal chemistry letters, 08-15, Volume: 28, Issue:15
Phosphorus-containing isothiocyanate-derived mercapturic acids as a useful alternative for parental isothiocyanates in experimental oncology.
AID1105175Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of germination in volatile phase at 253 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1271566Antiproliferative activity against human LoVo cells assessed as reduction in cell viability after 72 hrs by SRB assay2016Bioorganic & medicinal chemistry letters, Jan-15, Volume: 26, Issue:2
Synthesis and biological activity of diisothiocyanate-derived mercapturic acids.
AID1105152Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in volatile phase at 588 umol/l measured at 20 degC after 5 days relative to control2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105243Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in volatile phase at 422 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105142Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in contact phase at 1688 umol/l measured at 20 degC after 5 days relative to control2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105113Fungistatic activity in Sclerotinia sclerotiorum assessed as inhibition of carpogenic germination in volatile phase at 840 umol/l measured at 20 degC after 5 days relative to control2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105211Antifungal activity against Sclerotinia sclerotiorum assessed as inhibition of mycelial growth in contact phase at 759 umol/l measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105133Fungistatic activity in Sclerotinia sclerotiorum assessed as viability in volatile phase at 844 umol/l measured at 20 degC after 5 days relative to control2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105125Fungistatic activity in Sclerotinia sclerotiorum assessed as sclerotial viability measured at 20 degC after 5 days2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
AID1105094In vivo antifungal Sclerotinia sclerotiorum in Pepper (Capsicum annuum L. cv. Sera Demre) assessed as inhibition of mycelial growth in volatile phase at 84 umol/L measured after 10 to 14 weeks2011Pest management science, Jul, Volume: 67, Issue:7
In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (13)

TimeframeStudies, This Drug (%)All Drugs %
pre-19901 (7.69)18.7374
1990's0 (0.00)18.2507
2000's1 (7.69)29.6817
2010's8 (61.54)24.3611
2020's3 (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: 28.00

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 moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index28.00 (24.57)
Research Supply Index2.64 (2.92)
Research Growth Index5.03 (4.65)
Search Engine Demand Index24.28 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (28.00)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies1 (7.69%)4.05%
Observational0 (0.00%)0.25%
Other12 (92.31%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]