brassilexin
8H-isothiazolo(5,4-b)indole
 
Notes:
None found
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CAS Number: 119752-76-0Picture of molecule3D/inchi
Nikkaji Web: J985.446K
XlogP3-AA: 3.10 (est)
Molecular Weight: 174.22582000
Formula: C9 H6 N2 S
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 8938 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for brassilexin usage levels up to:
 not for fragrance use.
 
Recommendation for brassilexin flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 189690
National Institute of Allergy and Infectious Diseases: Data
 2H-[1,2]thiazolo[5,4-b]indole
Chemidplus: 0119752760
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References:
 2H-[1,2]thiazolo[5,4-b]indole
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 189690
Pubchem (cas): 119752-76-0
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): HMDB39638
FooDB: FDB019266
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 brassica juncea leaf
Search Trop  Picture
 brassica rapa
Search Trop  Picture
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Synonyms:
8H-isothiazolo(5,4-b)indole
2H-[1,2]thiazolo[5,4-b]indole
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Articles:
PubMed: The phytoalexins brassilexin and camalexin inhibit cyclobrassinin hydrolase, a unique enzyme from the fungal pathogen Alternaria brassicicola.
PubMed: Detoxification of cruciferous phytoalexins in Botrytis cinerea: spontaneous dimerization of a camalexin metabolite.
PubMed: Impact of cruciferous phytoalexins on the detoxification of brassilexin by the blackleg fungus pathogenic to brown mustard.
PubMed: Discovery of inhibitors of brassinin oxidase based on the scaffolds of the phytoalexins brassilexin and wasalexin.
PubMed: Cloning, purification and characterisation of brassinin glucosyltransferase, a phytoalexin-detoxifying enzyme from the plant pathogen Sclerotinia sclerotiorum.
PubMed: Phytoalexins and polar metabolites from the oilseeds canola and rapeseed: differential metabolic responses to the biotroph Albugo candida and to abiotic stress.
PubMed: Metabolism of crucifer phytoalexins in Sclerotinia sclerotiorum: detoxification of strongly antifungal compounds involves glucosylation.
PubMed: Design, synthesis, and antifungal activity of inhibitors of brassilexin detoxification in the plant pathogenic fungus Leptosphaeria maculans.
PubMed: Detoxification pathways of the phytoalexins brassilexin and sinalexin in Leptosphaeria maculans: isolation and synthesis of the elusive intermediate 3-formylindolyl-2-sulfonic acid.
PubMed: Concise syntheses of the cruciferous phytoalexins brassilexin, sinalexin, wasalexins, and analogues: expanding the scope of the vilsmeier formylation.
PubMed: Phytoalexins from the crucifer rutabaga: structures, syntheses, biosyntheses, and antifungal activity.
PubMed: [Biological activity of the isothiazole derivatives].
PubMed: Antiproliferative and cancer chemopreventive activity of phytoalexins: focus on indole phytoalexins from crucifers.
PubMed: Chemical defenses of crucifers: elicitation and metabolism of phytoalexins and indole-3-acetonitrile in brown mustard and turnip.
PubMed: Unprecedented Vilsmeier formylation: expedient syntheses of the cruciferous phytoalexins sinalexin and brassilexin and discovery of a new heteroaromatic ring system.
PubMed: Strategies of cruciferous pathogenic fungi: detoxification of the phytoalexin cyclobrassinin by mimicry.
PubMed: The cruciferous phytoalexins brassinin and cyclobrassinin are intermediates in the biosynthesis of brassilexin.
PubMed: Growth inhibitions on human cancer cell cultures with the indole sulphur-containing phytoalexins and their analogues.
PubMed: Abiotic elicitation of indole phytoalexins and resistance to Leptosphaeria maculans within Brassiceae.
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