NEMIRALISIB SUCCINATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C26H28N6O.C4H6O4
Molecular Weight	999.1683
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCC(O)=O.CC(C)N1CCN(CC2=CN=C(O2)C3=CC(=CC4=C3C=NN4)C5=CC=CC6=C5C=CN6)CC1.CC(C)N7CCN(CC8=CN=C(O8)C9=CC(=CC%10=C9C=NN%10)C%11=CC=CC%12=C%11C=CN%12)CC7

InChI

InChIKey=MEBXGOVBBDIMBC-UHFFFAOYSA-N

InChI=1S/2C26H28N6O.C4H6O4/c2*1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24;5-3(6)1-2-4(7)8/h2*3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30);1-2H2,(H,5,6)(H,7,8)

HIDE SMILES / InChI

Molecular Formula	C4H6O4
Molecular Weight	118.088
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C26H28N6O
Molecular Weight	440.5401
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28823947 | https://clinicaltrials.gov/ct2/show/NCT02593539 | https://clinicaltrials.gov/ct2/show/NCT03345407

GSK-2269557 (nemiralisib), a PI3Kδ inhibitor, is in development as an anti-inflammatory drug for the treatment of inflammatory airways disease. Studies in moderate or severe stable COPD patients have shown an acceptable safety and tolerability profile when GSK-2269557 was administered via inhalation. Cough was the most commonly reported adverse event.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
PI3-kinase p110-delta subunit 43 Target ID: CHEMBL3130 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22924688\|https://www.ncbi.nlm.nih.gov/pubmed/26301626	Inhibitor 8297		9.9 null [pKi]

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:47:53 GMT 2023` Edited by `admin` on `Sat Dec 16 10:47:53 GMT 2023`
Record UNII	K01RTI0V6O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEMIRALISIB SUCCINATE

Official Name

English

BUTANEDIOIC ACID, COMPD. WITH 6-(1H-INDOL-4-YL)-4-(5-((4-(1-METHYLETHYL)-1-PIPERAZINYL)METHYL)-2-OXAZOLYL)-1H-INDAZOLE (1:2)

Common Name

English

NEMIRALISIB SUCCINATE [USAN]

Common Name

English

GSK2269557H

Code

English

Bis[6-(1H-indol-4-yl)-4-(5-{[4-(propan-2-yl)piperazin-1-yl]methyl}-1,3-oxazol-5-yl)-1H-indazole] butanedioate

Systematic Name

English

GSK-2269557H

Code

English

NEMIRALISIB HEMISUCCINATE

Common Name

English

Code System Code Type Description

CAS

1364799-98-3