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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 of GNE-477

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

Description

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

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 4.0 nM [IC50]
Inhibitor
8504
 21.0 nM [Ki]
Inhibitor
8504
 86.0 nM [IC50]
Inhibitor
8504
 6.0 nM [IC50]
Inhibitor
8504
 15.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Basic research
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Identification of GNE-477, a potent and efficacious dual PI3K/mTOR inhibitor.
2010-04-15
Patents

Patents

20080242665
2
20110097349
2
20130129820
1

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.
Name Type Language
2-PYRIMIDINAMINE, 5-(7-METHYL-6-((4-(METHYLSULFONYL)-1-PIPERAZINYL)METHYL)-4-(4-MORPHOLINYL)THIENO(3,2-D)PYRIMIDIN-2-YL)-
Preferred Name English
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
Code System Code Type Description
CAS
1032754-81-6
Created by admin on Mon Mar 31 22:08:22 GMT 2025 , Edited by admin on Mon Mar 31 22:08:22 GMT 2025
PRIMARY
FDA UNII
0E8LA9H0RY
Created by admin on Mon Mar 31 22:08:22 GMT 2025 , Edited by admin on Mon Mar 31 22:08:22 GMT 2025
PRIMARY
PUBCHEM
25207689
Created by admin on Mon Mar 31 22:08:22 GMT 2025 , Edited by admin on Mon Mar 31 22:08:22 GMT 2025
PRIMARY
ACTIVE MOIETY
Structure of GNE-477
NIH
NCATS
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