TG-100115

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H14N6O2
Molecular Weight	346.3428
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(N)=C2N=C(C3=CC=CC(O)=C3)C(=NC2=N1)C4=CC(O)=CC=C4

InChI

InChIKey=UJIAQDJKSXQLIT-UHFFFAOYSA-N

InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)

HIDE SMILES / InChI

Molecular Formula	C18H14N6O2
Molecular Weight	346.3428
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/17172449 | https://www.ncbi.nlm.nih.gov/pubmed/17371238 | https://www.ncbi.nlm.nih.gov/pubmed/19056934 | https://www.ncbi.nlm.nih.gov/pubmed/28161478

TG-100115 is a potent dual inhibitor of PI3K-gamma and PI3K-delta. TG-100115 has broad anti-inflammatory activities. TG-100115 provided potent cardioprotection, reducing infarct development and preserving myocardial function. In murine models of asthma and acute stages of chronic obstructive pulmonary disease, aerosolized TG100-115 demonstrated not only markedly inhibited anti-inflammatory activity but also, in the case of the asthma model, improved functional outcome for the test animals. TG-100115 can be used as a potent TRPM7 kinase inhibitor and a potent inhibitor of breast cancer cell migration.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
PI3-kinase p110-delta subunit 43 Target ID: CHEMBL3130 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17172449	Inhibitor 8297	235.0 nM [IC50]
PI3-kinase p110-gamma subunit 32 Target ID: CHEMBL3267 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17172449	Inhibitor 8297	83.0 nM [IC50]
Transient receptor potential cation channel subfamily M member 7 6 Target ID: CHEMBL1250412 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28161478	Inhibitor 8297	1.07 µM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Myocardial infarction 121 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17371238	Preventing	Phase II 1132	Unknown Approved Use Unknown
Asthma 241 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19056934	Primary	Preclinical	Unknown Approved Use Unknown
Chronic obstructive pulmonary disease 174 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19056934	Primary	Preclinical	Unknown Approved Use Unknown
Breast cancer 434 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28161478	Primary	Basic research	Unknown Approved Use Unknown

Overview

CYP3A4	CYP2C9	CYP2D6	hERG

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
P-gp 1461

Drug as perpetrator

Target	Modality	Activity	Metabolite	Clinical evidence
P-gp 1650	inhibitor 3277 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1346987#sid=174006467	yes [IC50 11.7704 uM]

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P006KH7	https://www.1pchem.com/search?query=1P006KH7
AChemBlock	Q65794	http://www.achemblock.com/catalogsearch/result/?q=Q65794
AK Scientific	SYN1105	https://aksci.com/item_detail.php?cat=SYN1105
AK Scientific	X7415	https://aksci.com/item_detail.php?cat=X7415
AOBIOUS INC	AOB87135	http://aobious.com/aobious/search?search_query=AOB87135
Angene	AGN-PC-0N4ACP	http://www.angenechemical.com/productshow/AGN-PC-0N4ACP.html
ApexBio Technology	A2754	https://www.apexbt.com/catalogsearch/result/?q=A2754
AstaTech	28302	http://astatechinc.com/CPSResult.php?CRNO=28302
BLD Pharm	BD305927	http://www.bldpharm.com/search/Search.html?keyword=BD305927
Chem Scene	CS-0186	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0186
ChemShuttle	124994	https://www.chemshuttle.com/catalogsearch/result/?q=124994
Debye Scientific	DB-073919	https://www.debyesci.com/index.php?id=product&ext[cno]=DB-073919
Excenen	EX-A2168	http://www.excenen.com/searchresultlist.php?id=EX-A2168
Hairui	HR118387	http://www.hairuichem.com/en/product/search.do?q=HR118387
KeyOrganics	AS-16249	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-16249
Lab Network	LN01308309	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01308309
Lab Seeker	SC-96680	http://www.labseeker.com/search.php?keywords=SC-96680&category=0
LabSeeker	SC-96680	http://www.labseeker.com/search.php?keywords=SC-96680&category=0
Matrix Scientific	148410	http://www.matrixscientific.com/148410.html
MedChem Express	HY-10111	https://www.medchemexpress.com/search.html?q=HY-10111&ft=&fa=&fp=
MolPort	MolPort-009-679-478	https://www.molport.com/shop/molecule-link/MolPort-009-679-478
Molnova	M15587	https://www.molnova.com/en/serch-list.html?keywords=M15587
MuseChem	I004546	https://www.musechem.com/product/I004546.html
Ryan Scientific	MSDC-0160	https://ryansci.com/products?q=MSDC-0160&list_q=&search_type=exact
ShangHai Biochempartner	BCP000321	http://www.biochempartner.com/search_BCP000321
ShangHai Biochempartner	BCP02358	http://www.biochempartner.com/search_BCP02358
TargetMol	T2672	https://www.targetmol.com/search?keyword=T2672
eMolecules	260058176	https://orderbb.emolecules.com/search/#?query=260058176
eMolecules	260451624	https://orderbb.emolecules.com/search/#?query=260451624
eMolecules	31507670	https://orderbb.emolecules.com/search/#?query=31507670
eNovation Chemicals	D501855	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D501855&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-2728410500	https://mcule.com/MCULE-2728410500/

PubMed

Title	Date	PubMed
Phosphoinositide 3-kinase gamma/delta inhibition limits infarct size after myocardial ischemia/reperfusion injury.	2006 Dec 26	17172449
Isoform-selective PI3K inhibitors as novel therapeutics for the treatment of acute myocardial infarction.	2007 Apr	17371238
Discovery of 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol as an isozyme-selective inhibitor of PI3K for the treatment of ischemia reperfusion injury associated with myocardial infarction.	2007 Sep 6	17685602
Aerosolized phosphoinositide 3-kinase gamma/delta inhibitor TG100-115 [3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]phenol] as a therapeutic candidate for asthma and chronic obstructive pulmonary disease.	2009 Mar	19056934
Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.	2010 Nov 24	21095574
Comprehensive analysis of kinase inhibitor selectivity.	2011 Oct 30	22037378
Phosphoinositide 3-kinase δ/γ inhibition does not prevent concanavalin A-induced hepatitis.	2013 Nov	23969545
Potency and pharmacokinetics of broad spectrum and isoform-specific p110γ and δ inhibitors in cancers.	2016	26791581

Patents

Sample Use Guides

In Vivo Use Guide

Rat: 0.5 mg/kg

Route of Administration: Intravenous

In Vitro Use Guide

TG-100115 had no effects on endothelial cells proliferation even at relatively high concentrations (up to 10 uM). TG-100115 (10 uM) interrupts other VEGF signaling pathways, such as those that culminate in VE-cadherin phosphorylation.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:12:53 GMT 2023` Edited by `admin` on `Sat Dec 16 09:12:53 GMT 2023`
Record UNII	7ACH1U1E2M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TG-100115

Common Name

English

TG-100-115

Code

English

TG 100-115

Code

English

PHENOL, 3,3'-(2,4-DIAMINO-6,7-PTERIDINEDIYL)BIS-

Systematic Name

English

6,7-BIS(3-HYDROXYPHENYL)PTERIDINE-2,4-DIAMINE

Systematic Name

English

Code System Code Type Description

PUBCHEM

10427712