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CHEBI:195315 - proINDY

ChEBI IDCHEBI:195315
ChEBI NameproINDY
Stars
DefinitionA member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and acetyloxy groups at positions 2, 3 and 5, respectively. It is the prodrug of INDY.
Last Modified4 July 2023
Submitterdoughowe
DownloadsMolfile
FormulaC14H15NO3S
Net Charge0
Average Mass277.345
Monoisotopic Mass277.07726
SMILESCCN1/C(=C/C(C)=O)Sc2ccc(OC(C)=O)cc21
InChIInChI=1S/C14H15NO3S/c1-4-15-12-8-11(18-10(3)17)5-6-13(12)19-14(15)7-9(2)16/h5-8H,4H2,1-3H3/b14-7-
InChIKeyRLEOCVDWLAYGRX-AUWJEWJLSA-N
Roles Classification
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
proINDY (CHEBI:195315) has functional parent INDY (CHEBI:195332)
proINDY (CHEBI:195315) has role antineoplastic agent (CHEBI:35610)
proINDY (CHEBI:195315) has role prodrug (CHEBI:50266)
proINDY (CHEBI:195315) is a acetate ester (CHEBI:47622)
proINDY (CHEBI:195315) is a benzothiazoles (CHEBI:37947)
proINDY (CHEBI:195315) is a enone (CHEBI:51689)
IUPAC Name 
(2Z)-3-ethyl-2-(2-oxopropylidene)-2,3-dihydro-1,3-benzothiazol-5-yl acetate
Synonyms  Source
(Z)-3-ethyl-2-(2-oxopropylidene)-2,3-dihydrobenzo[d]thiazol-5-yl acetateChEBI
TG-007ChEBI
TG007ChEBI
TG 007ChEBI
(1Z)-1-(5-acetoxy-3-ethyl-2(3H)-benzothiazoylidene)-2-propanoneChEBI
Registry NumbersSources
CAS:719277-30-2ChEBI
Citations