U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22ClN5O2
Molecular Weight 423.8961
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLIBRESIB

SMILES

CCN=C(C[C@@]1([H])c2nnc(C)n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)O

InChI

InChIKey=AAAQFGUYHFJNHI-SFHVURJKSA-N
InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1

HIDE SMILES / InChI

Description
Curator's Comment:: https://www.ncbi.nlm.nih.gov/pubmed/21068722 | https://www.ncbi.nlm.nih.gov/pubmed/24015967

GSK 525768A is inactive enantiomer of BET inhibitor, compound I-BET (GSK525762A). It was used as a negative controls in studies of I-BET.

Approval Year

PubMed

PubMed

TitleDatePubMed
Suppression of inflammation by a synthetic histone mimic.
2010 Dec 23
Liver X receptors as regulators of macrophage inflammatory and metabolic pathways.
2011 Aug
Discovery and characterization of small molecule inhibitors of the BET family bromodomains.
2011 Jun 9
Selective inhibition of CD4+ T-cell cytokine production and autoimmunity by BET protein and c-Myc inhibitors.
2012 Sep 4
Discovery of epigenetic regulator I-BET762: lead optimization to afford a clinical candidate inhibitor of the BET bromodomains.
2013 Oct 10
The making of I-BET762, a BET bromodomain inhibitor now in clinical development.
2013 Oct 10
Potent antimyeloma activity of the novel bromodomain inhibitors I-BET151 and I-BET762.
2014 Jan 30
An epigenomic approach to therapy for tamoxifen-resistant breast cancer.
2014 Jul
BET inhibitor resistance emerges from leukaemia stem cells.
2015 Sep 24
CCAT1 is an enhancer-templated RNA that predicts BET sensitivity in colorectal cancer.
2016 Feb
Patents

Sample Use Guides

GSK 525762, at the 60-100 mg QD doses, resulted in partial responses in two patients at 15 and 23 weeks, respectively, and stable disease in four patients, according to data from 11 treated patients with NUT midline carcinoma, in a phase I/II study
Route of Administration: Oral
125-500 nM I-BET-762 (GSK 525762) treatment differentially alters CD4+ T-cell cytokine production
Name Type Language
MOLIBRESIB
INN  
USAN   INN  
Official Name English
GSK525762
Code English
I-BET 762
Code English
GSK525762A
Code English
MOLIBRESIB [INN]
Common Name English
GSK-525762A
Code English
GSK-525762
Code English
MOLIBRESIB [USAN]
Common Name English
MOLIBRESIB [WHO-DD]
Common Name English
4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE-4-ACETAMIDE, 6-(4-CHLOROPHENYL)-N-ETHYL-8-METHOXY-1-METHYL-, (4S)-
Systematic Name English
BET INHIBITOR GSK525762
Common Name English
2-((4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4HBENZO(F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPIN-4-YL)-N-ETHYLACETAMIDE
Systematic Name English
(4S)-6-(4-CHLOROPHENYL)-N-ETHYL-8-METHOXY-1-METHYL-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINE-4-ACETAMIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C128462
Created by admin on Sat Jun 26 16:41:54 UTC 2021 , Edited by admin on Sat Jun 26 16:41:54 UTC 2021
Code System Code Type Description
EPA CompTox
1260907-17-2
Created by admin on Sat Jun 26 16:41:54 UTC 2021 , Edited by admin on Sat Jun 26 16:41:54 UTC 2021
PRIMARY
PUBCHEM
46943432
Created by admin on Sat Jun 26 16:41:54 UTC 2021 , Edited by admin on Sat Jun 26 16:41:54 UTC 2021
PRIMARY
INN
10533
Created by admin on Sat Jun 26 16:41:54 UTC 2021 , Edited by admin on Sat Jun 26 16:41:54 UTC 2021
PRIMARY
FDA UNII
5QIO6SRZ2R
Created by admin on Sat Jun 26 16:41:54 UTC 2021 , Edited by admin on Sat Jun 26 16:41:54 UTC 2021
PRIMARY
NCI_THESAURUS
C101538
Created by admin on Sat Jun 26 16:41:54 UTC 2021 , Edited by admin on Sat Jun 26 16:41:54 UTC 2021
PRIMARY
CAS
1260907-17-2
Created by admin on Sat Jun 26 16:41:54 UTC 2021 , Edited by admin on Sat Jun 26 16:41:54 UTC 2021
PRIMARY