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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22ClN5O2.C6H6O3S
Molecular Weight 582.0725
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLIBRESIB BESYLATE

SMILES

CCN=C(C[C@@]1([H])c2nnc(C)n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)O.c1ccc(cc1)S(=O)(=O)O

InChI

InChIKey=UQGMFOYDYUZADE-FERBBOLQSA-N
InChI=1S/C22H22ClN5O2.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h5-11,18H,4,12H2,1-3H3,(H,24,29);1-5H,(H,7,8,9)/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C6H6O3S
Molecular Weight 158.1764
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H22ClN5O2
Molecular Weight 423.8961
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

TargetsConditions
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
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
Substance Class Chemical
Created
by admin
on Sat Jun 26 02:14:34 UTC 2021
Edited
by admin
on Sat Jun 26 02:14:34 UTC 2021
Record UNII
K04D7I4BCH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLIBRESIB BESYLATE
USAN  
Official Name English
GSK525762C
Code English
2-((4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-(1,2,4)TRIAZOLO(4,3-A)(1,4)BENZODIAZEPIN-4-YL)-N-ETHYLACETAMIDE MONOBENZENESULFONATE SALT
Systematic Name English
GSK-525762C
Code English
MOLIBRESIB BESYLATE [USAN]
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)-, COMPD. WITH BENZENESULFONATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1895049-20-3
Created by admin on Sat Jun 26 02:14:34 UTC 2021 , Edited by admin on Sat Jun 26 02:14:34 UTC 2021
PRIMARY
FDA UNII
K04D7I4BCH
Created by admin on Sat Jun 26 02:14:34 UTC 2021 , Edited by admin on Sat Jun 26 02:14:34 UTC 2021
PRIMARY
PUBCHEM
133082230
Created by admin on Sat Jun 26 02:14:34 UTC 2021 , Edited by admin on Sat Jun 26 02:14:34 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY