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GNE-0877

GNE-0877 structure

CAS No:
1374828-69-9
Formula:
C14H16F3N7
Chemical Name:
GNE-0877
Synonyms:
GNE-0877;alpha,alpha,3-Trimethyl-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1H-pyrazole-1-acetonitrile;2-methyl-2-(3-methyl-4-(4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-1H-pyrazol-1-yl)propanenitrile;alpha,alpha,3-Trimethyl-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1H-pyrazole-1-acetonitrile GNE-0877;GNE-0877, >=98%;2-Methyl-2-(3-methyl-4-((4-(methylamino)-5-(trifluoromethyl)-pyrimidin-2-yl)amino)-1H-pyrazol-
Categories:
Biochemical Engineering > Inhibitors

Description

GNE0877 is a highly potent, selective, and brain-penetrant aminopyrazole leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitor with an IC50 of 3 nM.IC50 value: 3 nM [1]Target: LRRK2Invitrogen kinase-selectivity profiling(188 kinases) of aminopyrazole GNE0877 at 0.1 μM (145-fold overLRRK2 Ki) resulted in only four kinases showing greater than 50% inhibition (Aurora B = 51%, RSK2 = 52%, RSK4 = 62%, and RSK3 = 68%) and suggested that GNE0877 is a highly selective LRRK2 inhibitor. Fu

GNE-0877 Basic Attributes

Molecular Weight：

339.3189496

Exact Mass：

339.141937

EC Number：

-0

UNII：

ANGHS285FG

Characteristics

PSA：

91.4

XLogP3：

1.51

Density：

1.36±0.1 g/cm3(Predicted)

Boiling Point：

506.3±60.0 °C(Predicted)

Flash Point：

260.0±32.9 °C

Refractive Index：

1.584

Water Solubility：

H2O: Practically insoluble (0.061 g/L) (25 ºC)

Drug Information

MeSH Entry Terms：

2-methyl-2-(3-methyl-4-((4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)propanenitrile

Computed Properties

Molecular Weight:339.32
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:339.14192803
Monoisotopic Mass:339.14192803
Topological Polar Surface Area:91.4
Heavy Atom Count:24
Complexity:487
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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GNE-0877

CAS No.: 1374828-69-9

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