MOLIBRESIB

Investigational

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 Search

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

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
Sources: http://adisinsight.springer.com/drugs/800036177https://www.ncbi.nlm.nih.gov/pubmed/21068722
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.

Originator

Approval Year

Conditions

Condition	Modality	Highest Phase
Acute myeloid leukemia 128 Sources: http://adisinsight.springer.com/drugs/800036177	Primary	Phase II
Breast cancer 411 Sources: http://adisinsight.springer.com/drugs/800036177	Primary	Phase II
Multiple myeloma 145 Sources: http://adisinsight.springer.com/drugs/800036177	Primary	Phase II
NUT midline carcinoma 2 Sources: http://adisinsight.springer.com/drugs/800036177	Primary	Phase II
Non-Hodgkin's lymphoma 74 Sources: http://adisinsight.springer.com/drugs/800036177	Primary	Phase II

PubMed

Title	Date	PubMed
Suppression of inflammation by a synthetic histone mimic.	2010 Dec 23	21068722
Liver X receptors as regulators of macrophage inflammatory and metabolic pathways.	2011 Aug	21193033
Discovery and characterization of small molecule inhibitors of the BET family bromodomains.	2011 Jun 9	21568322
The making of I-BET762, a BET bromodomain inhibitor now in clinical development.	2013 Oct 10	24107192
CCAT1 is an enhancer-templated RNA that predicts BET sensitivity in colorectal cancer.	2016 Feb	26752646

Patents

Sample Use Guides

In Vivo Use Guide

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

In Vitro Use Guide

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 16:41:54 UTC 2021` Edited by `admin` on `Sat Jun 26 16:41:54 UTC 2021`
Record UNII	5QIO6SRZ2R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MOLIBRESIB

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