TGX-221

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H24N4O2
Molecular Weight	364.4409
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(NC1=CC=CC=C1)C2=CC(C)=CN3C(=O)C=C(N=C23)N4CCOCC4

InChI

InChIKey=CPRAGQJXBLMUEL-UHFFFAOYSA-N

InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C21H24N4O2
Molecular Weight	364.4409
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21286711 | https://www.ncbi.nlm.nih.gov/pubmed/25620467
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/22494444 https://www.ncbi.nlm.nih.gov/pubmed/21396684

The synthetic small molecule TGX-221 is a potent, selective and cell membrane permeable inhibitor of PI3K p110 beta catalytic subunit, which is critical for cell growth, proliferation and tumorigenesis of PTEN-deficient tumor cells including prostate cancers. Therefore, PI3K p110 beta inhibitors have a great promise as novel chemotherapeutic agents to treat PTEN deficient cancer cells. In vivo, TGX-221 significantly improved blood flow in FeCl3-induced arterial thrombosis as well as increased tail and renal bleeding times in mice.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
PI3-kinase p110-beta subunit 31 Target ID: CHEMBL3145 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15834429 \| https://www.ncbi.nlm.nih.gov/pubmed/25890698	Inhibitor 8504		5.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cancer 609 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25620467 http://adisinsight.springer.com/drugs/800023609	Primary		Preclinical	Unknown Approved Use Unknown
Arterial thrombosis 5 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20441566 http://adisinsight.springer.com/drugs/800023609 https://www.ncbi.nlm.nih.gov/pubmed/19689267	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
		252160127
PI 3-kinase p110beta: a new target for antithrombotic therapy.	2005 May	15834429
Functional characterization of an isoform-selective inhibitor of PI3K-p110β as a potential anticancer agent.	2012 May	22588880
Regulation of CD38 expression in human airway smooth muscle cells: role of class I phosphatidylinositol 3 kinases.	2012 Oct	22556157

Patents

Sample Use Guides

In Vivo Use Guide

TGX-221 (0.3 + 0.3, 1 + 1, 3 + 3 mg/kg + mg/kg/hr, i.v.)

Route of Administration: Intravenous

In Vitro Use Guide

After treatment with TGX-221 (0.2, 2, and 20 uM), PC3 cells show inhibition of proliferation with a significant reduction of the activity of the p110β PI3K isoform

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:11:01 GMT 2025` Edited by `admin` on `Mon Mar 31 22:11:01 GMT 2025`
Record UNII	6L28AW98TH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TGX-221

Common Name

English

TGX 221

Preferred Name

English

4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE, 7-METHYL-2-(4-MORPHOLINYL)-9-(1-(PHENYLAMINO)ETHYL)-

Systematic Name

English

7-METHYL-2-(MORPHOLIN-4-YL)-9-(1-(PHENYLAMINO)ETHYL)PYRIDO(1,2-A)PYRIMIDIN-4-ONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID101025688