GNE-477

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H28N8O3S2
Molecular Weight	504.629
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(CN2CCN(CC2)S(C)(=O)=O)SC3=C(N=C(N=C13)C4=CN=C(N)N=C4)N5CCOCC5

InChI

InChIKey=AKKCGLXULFRAET-UHFFFAOYSA-N

InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)

HIDE SMILES / InChI

Molecular Formula	C21H28N8O3S2
Molecular Weight	504.629
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/20346656

GNE-477 is a potent and efficacious dual PI3K/mTOR inhibitor. GNE-477 exhibited stasis in a PC3 tumor growth inhibition study.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
PI3-kinase p110-alpha subunit 41 Target ID: CHEMBL4005 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20346656	Inhibitor 8297	4.0 nM [IC50]
Serine/threonine-protein kinase mTOR 35 Target ID: CHEMBL2842 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20346656	Inhibitor 8297	21.0 nM [Ki]
PI3-kinase p110-beta subunit 31 Target ID: CHEMBL3145 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20346656	Inhibitor 8297	86.0 nM [IC50]
PI3-kinase p110-delta subunit 43 Target ID: CHEMBL3130 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20346656	Inhibitor 8297	6.0 nM [IC50]
PI3-kinase p110-gamma subunit 32 Target ID: CHEMBL3267 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20346656	Inhibitor 8297	15.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cancer 592 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20346656	Primary		Basic research	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Identification of GNE-477, a potent and efficacious dual PI3K/mTOR inhibitor.	2010 Apr 15	20346656

Patents

Sample Use Guides

In Vivo Use Guide

Stasis was achieved at a 20 mg/kg (every day, 14 days).

Route of Administration: Intravenous

In Vitro Use Guide

Identified EC50 of GNE-477 for MCF7.1 cells proliferation is 143 nM.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:31:18 GMT 2023` Edited by `admin` on `Sat Dec 16 08:31:18 GMT 2023`
Record UNII	0E8LA9H0RY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GNE-477

Common Name

English

5-(7-METHYL-4-(MORPHOLIN-4-YL)-6-((4-METHYLSULFONYLPIPERAZIN-1-YL)METHYL)THIENO(3,2-D)PYRIMIDIN-2-YL)PYRIMIDIN-2-AMINE

Systematic Name

English

2-PYRIMIDINAMINE, 5-(7-METHYL-6-((4-(METHYLSULFONYL)-1-PIPERAZINYL)METHYL)-4-(4-MORPHOLINYL)THIENO(3,2-D)PYRIMIDIN-2-YL)-

Systematic Name

English

Code System Code Type Description

CAS

1032754-81-6

Created by admin on Sat Dec 16 08:31:18 GMT 2023 , Edited by admin on Sat Dec 16 08:31:18 GMT 2023

PRIMARY

FDA UNII

0E8LA9H0RY

Created by admin on Sat Dec 16 08:31:18 GMT 2023 , Edited by admin on Sat Dec 16 08:31:18 GMT 2023

PRIMARY

PUBCHEM

25207689

Created by admin on Sat Dec 16 08:31:18 GMT 2023 , Edited by admin on Sat Dec 16 08:31:18 GMT 2023

PRIMARY

Related Record Type Details


					0E8LA9H0RY

GNE-477

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/20346656

Originator

Approval Year

Targets

Conditions

Approved Use

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20346656