Introduction：Basic information about CAS 1374828-69-9|GNE-0877, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | GNE-0877 |
|---|
| CAS Number | 1374828-69-9 | Molecular Weight | 339.319 |
|---|
| Density | 1.4±0.1 g/cm3 | Boiling Point | 506.3±60.0 °C at 760 mmHg |
|---|
| Molecular Formula | C14H16F3N7 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 260.0±32.9 °C |
|---|
Names
| Name | 1H-Pyrazole-1-acetonitrile, α,α,3-trimethyl-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]- |
|---|
| Synonym | More Synonyms |
|---|
GNE-0877 BiologicalActivity
| 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. Furthermore, GNE0877 possessed a 212-fold biochemical-selectivity index over TTK (Ki= 150 nM), which was previously highlighted as an off-target kinase of concern because of the suggested role of TTK in themaintenance of chromosomal stability. The in vivo rat clearance for inhibitor GNE0877 was within 2-fold of measured in vitro stability, and good oral bioavailability (88%) was achieved at 50 mg/kg following administration of a methylcellulose/tween (MCT) suspension. |
|---|
| Related Catalog | Signaling Pathways >>Autophagy >>LRRK2Research Areas >>Neurological Disease |
|---|
| References | [1]. Estrada AA, et al. Discovery of highly potent, selective, and brain-penetrant aminopyrazole leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors. J Med Chem. 2014 Feb 13;57(3):921-36. |
|---|
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|
| Boiling Point | 506.3±60.0 °C at 760 mmHg |
|---|
| Molecular Formula | C14H16F3N7 |
|---|
| Molecular Weight | 339.319 |
|---|
| Flash Point | 260.0±32.9 °C |
|---|
| Exact Mass | 339.141937 |
|---|
| PSA | 91.45000 |
|---|
| LogP | 1.51 |
|---|
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
|---|
| Index of Refraction | 1.584 |
|---|
| InChIKey | ZPPUMAMZIMPJGP-UHFFFAOYSA-N |
|---|
| SMILES | CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C(F)(F)F |
|---|
| Storage condition | 2-8℃ |
|---|
| Water Solubility | Practically insoluble (0.061 g/L) (25 ºC) |
|---|
Synonyms
| 1H-Pyrazole-1-acetonitrile, α,α,3-trimethyl-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]- |
| 2-Methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino}-1H-pyrazol-1-yl)propanenitrile |
| GNE0877 |
| alpha,alpha,3-Trimethyl-4-[[4-(methylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1H-pyrazole-1-acetonitrile |
