CHEBI:167629 - JTE-607 dihydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name JTE-607 dihydrochloride
ChEBI ID CHEBI:167629
Definition The dihydrochloride salt of JTE-607. It is a cytokine inhibitor which suppresses the production of proinflammatory cytokines such as interleukin (IL-1β), IL-6, IL-8, granulocyte macrophage colony stimulating factor (GM-CSF), and tumor necrosis factor (TNF-α). It acts as a pro-drug which is cleaved by carboxylesterase 1 (CES1) to its active free acid form, which then binds to cleavage and polyadenylation specificity factor 3 (CPSF3).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Stan Laulederkind
Supplier Information
Download Molfile XML SDF
Formula C25H31Cl2N3O5.ClH.ClH
Net Charge 0
Average Mass 597.360
Monoisotopic Mass 595.11743
InChI InChI=1S/C25H31Cl2N3O5.2ClH/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);2*1H/t20-;;/m0../s1
InChIKey JUJAUEQJEWIWCQ-FJSYBICCSA-N
SMILES Cl.Cl.CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCCN2CCN(C)CC2)C(Cl)=C1O
Roles Classification
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): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
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.
cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing JTE-607 dihydrochloride (CHEBI:167629) has part JTE-607(2+) (CHEBI:167632)
JTE-607 dihydrochloride (CHEBI:167629) has role anti-inflammatory agent (CHEBI:67079)
JTE-607 dihydrochloride (CHEBI:167629) has role antineoplastic agent (CHEBI:35610)
JTE-607 dihydrochloride (CHEBI:167629) has role apoptosis inducer (CHEBI:68495)
JTE-607 dihydrochloride (CHEBI:167629) has role cardioprotective agent (CHEBI:77307)
JTE-607 dihydrochloride (CHEBI:167629) has role CPSF3 inhibitor (CHEBI:167633)
JTE-607 dihydrochloride (CHEBI:167629) has role prodrug (CHEBI:50266)
JTE-607 dihydrochloride (CHEBI:167629) is a hydrochloride (CHEBI:36807)
IUPAC Name
ethyl N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl}-L-phenylalaninate dihydrochloride
Synonyms Sources
(−)-ethyl-N-[3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]-L-phenylalaninate dihydrochloride ChEBI
ethyl (2S)-2-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzamido}-3-phenylpropanoate dihydrochloride IUPAC
JTE 607 ChemIDplus
JTE 607 dihydrochloride ChEBI
JTE-607 ChemIDplus
JTE-607 .2HCl ChEBI
JTE-607 dihydrochloride SUBMITTER
N-[3,5-dichloro-2-hydroxy-4-[2-(4-methyl-1-piperazinyl)ethoxy]benzoyl]-L-phenylalanine ethyl ester dihydrochloride ChEBI
Registry Number Type Source
188791-09-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10493164 PubMed citation SUBMITTER
12005207 PubMed citation Europe PMC
12388363 PubMed citation Europe PMC
15044056 PubMed citation Europe PMC
15173729 PubMed citation Europe PMC
15280441 PubMed citation Europe PMC
16982331 PubMed citation Europe PMC
18691526 PubMed citation Europe PMC
20028380 PubMed citation Europe PMC
21820084 PubMed citation Europe PMC
31399191 PubMed citation SUBMITTER
31819276 PubMed citation Europe PMC
Last Modified
10 March 2021