CHEBI:167630 - JTE-607 free base

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ChEBI Name JTE-607 free base
ChEBI ID CHEBI:167630
Definition A secondary carboxamide resulting from the formal condensation of the carboxy group of 3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid with the amino group of ethyl L-phenylalaninate. It inhibits cytokine production in human peripheral blood mononuclear cells (PBMC's) without causing immunosuppression.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H31Cl2N3O5
Net Charge 0
Average Mass 524.440
Monoisotopic Mass 523.16408
InChI InChI=1S/C25H31Cl2N3O5/c1-3-34-25(33)20(15-17-7-5-4-6-8-17)28-24(32)18-16-19(26)23(21(27)22(18)31)35-14-13-30-11-9-29(2)10-12-30/h4-8,16,20,31H,3,9-15H2,1-2H3,(H,28,32)/t20-/m0/s1
InChIKey IPSSXIMJJXSJQB-FQEVSTJZSA-N
SMILES CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCCN2CCN(C)CC2)C(Cl)=C1O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
CPSF3 inhibitor
Any inhibitor which inhibits the activity of cleavage and polyadenylation specificity factor subunit 3 protein (CPSF3).
Application(s): 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.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing JTE-607 free base (CHEBI:167630) has role anti-inflammatory agent (CHEBI:67079)
JTE-607 free base (CHEBI:167630) has role antineoplastic agent (CHEBI:35610)
JTE-607 free base (CHEBI:167630) has role apoptosis inducer (CHEBI:68495)
JTE-607 free base (CHEBI:167630) has role CPSF3 inhibitor (CHEBI:167633)
JTE-607 free base (CHEBI:167630) has role prodrug (CHEBI:50266)
JTE-607 free base (CHEBI:167630) is a N-methylpiperazine (CHEBI:46920)
JTE-607 free base (CHEBI:167630) is a L-phenylalanine derivative (CHEBI:84144)
JTE-607 free base (CHEBI:167630) is a aromatic ether (CHEBI:35618)
JTE-607 free base (CHEBI:167630) is a benzamides (CHEBI:22702)
JTE-607 free base (CHEBI:167630) is a dichlorobenzene (CHEBI:23697)
JTE-607 free base (CHEBI:167630) is a ethyl ester (CHEBI:23990)
JTE-607 free base (CHEBI:167630) is a phenols (CHEBI:33853)
JTE-607 free base (CHEBI:167630) is a secondary carboxamide (CHEBI:140325)
JTE-607 free base (CHEBI:167630) is conjugate base of JTE-607(2+) (CHEBI:167632)
JTE-607 free base (CHEBI:167630) is tautomer of JTE-607 zwitterion (CHEBI:167631)
Incoming JTE-607(2+) (CHEBI:167632) is conjugate acid of JTE-607 free base (CHEBI:167630)
JTE-607 zwitterion (CHEBI:167631) is tautomer of JTE-607 free base (CHEBI:167630)
IUPAC Name
ethyl N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl}-L-phenylalaninate
Synonyms Sources
ethyl (2S)-2-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzamido}-3-phenylpropanoate IUPAC
JTE-607 (free base) ChEBI
N-[3,5-dichloro-2-hydroxy-4-[2-(4-methyl-1-piperazinyl)ethoxy]benzoyl]-L-phenylalanine ethyl ester ChEBI
Manual Xref Database
8114170 ChemSpider
View more database links
Registry Number Type Source
188791-71-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10493164 PubMed citation Europe PMC
15044056 PubMed citation Europe PMC
15280441 PubMed citation Europe PMC
Last Modified
10 March 2021