proINDY (CHEBI:195315)

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ChEBI Name	proINDY

ChEBI ID	CHEBI:195315

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Doug Howe

Supplier Information

Download	Molfile XML SDF

Formula

C14H15NO3S

Net Charge

Average Mass

277.340

Monoisotopic Mass

277.07726

InChI

InChI=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-

InChIKey

RLEOCVDWLAYGRX-AUWJEWJLSA-N

SMILES

CCN1\C(SC2=CC=C(OC(C)=O)C=C12)=C\C(C)=O

Roles Classification
Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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.

ChEBI Ontology
Outgoing	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	Sources
(1Z)-1-(5-acetoxy-3-ethyl-2(3H)-benzothiazoylidene)-2-propanone	ChEBI
(Z)-3-ethyl-2-(2-oxopropylidene)-2,3-dihydrobenzo[d]thiazol-5-yl acetate	ChEBI
TG 007	ChEBI
TG-007	ChEBI
TG007	ChEBI

Registry Number	Type	Source
719277-30-2	CAS Registry Number	ChEBI

Last Modified

04 July 2023