CAS Number1285515-21-0
SynonymsSMANT hydrochloride; UNII-Q641JSF42X; GSK2578215A; 2-(Benzyloxy)-5-(2-fluoro-4-pyridinyl)-N-(3-pyridinyl)benzamide
Molecular FormulaC24H18O2N3F1
Molecular Weight399.42
Density1.3±0.1 g/cm3
Boiling Point556.1±50.0 °C at 760 mmHg
Appearancewhite to beige
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1285515-21-0 |
| Catalog No. | 2A-9093273 |
| Chinese Name | 5-(2-氟-4-吡啶基)-2-(苯基甲氧基)-N-3-吡啶基苯甲酰胺 |
| Synonyms | SMANT hydrochloride; UNII-Q641JSF42X; GSK2578215A; 2-(Benzyloxy)-5-(2-fluoro-4-pyridinyl)-N-(3-pyridinyl)benzamide |
| Molecular Formula | C24H18O2N3F1 |
| Molecular Weight | 399.42 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 556.1±50.0 °C at 760 mmHg |
| Appearance | white to beige |
| Water Solubility | DMSO: soluble15mg/mL, clear |
| Storage Condition | 2-8°C |
| Application | GSK2578215A is a highly efficient and selective inhibitor of LRRK2, with an IC50 value of approximately 10nM for wild-type LRRK2 and mutant G2019S. |
| PubChem ID | 163325435 |
| MDL Number | MFCD22665702 |
| SMILES | O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29) |
| InChI Key | WCIGMFCFPXZRMQ-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/93273_1_1285515_21_0.pdf |
| Bioactivity | GSK2578215A is a potent and highly selective LRRK2 inhibitor; exhibits IC50s of around 10 nM against both wild-type LRRK2 and the G2019S mutant.IC50 value: ~10 nM(wt-LRRK2; LRRK2 G2019S) [1]Target: LRRK2 inhibitorGSK2578215A exhibits exceptionally high selectivity for LRRK2 across the kinome, substantially inhibits Ser910 and Ser935 phosphorylation of both wild-type LRRK2 and G2019S mutant at a concentration of 0.3-1.0 μM in cells and in mouse spleen and kidney, but not in brain, following intraperitoneal injection of 100 mg/kg [1]. Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Autophagy >> LRRK2 Signaling Pathways >> Autophagy >> Mitophagy Research Areas >> Neurological Disease References [1]. Reith AD, et al. GSK2578215A; a potent and highly selective 2-arylmethyloxy-5-substitutent-N-arylbenzamide LRRK2 kinase inhibitor. Bioorg Med Chem Lett. 2012 Sep 1;22(17):5625-9. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 556.1±50.0 °C at 760 mmHg Molecular Formula C24H18FN3O2 Molecular Weight 399.417 Flash Point 290.1±30.1 °C Exact Mass 399.138306 PSA 67.60000 LogP 3.40 Appearance of Characters white to beige Vapour Pressure 0.0±1.5 mmHg at 25°C Index of Refraction 1.651 InChIKey WCIGMFCFPXZRMQ-UHFFFAOYSA-N SMILES O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1 Storage condition 2-8°C Water Solubility DMSO: soluble15mg/mL, clear |
| Use of | Properties Name 5-(2-fluoropyridin-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide Synonym More Synonyms GSK2578215A Biological Activity Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Autophagy >> LRRK2 Signaling Pathways >> Autophagy >> Mitophagy Research Areas >> Neurological Disease References [1]. Reith AD, et al. GSK2578215A; a potent and highly selective 2-arylmethyloxy-5-substitutent-N-arylbenzamide LRRK2 kinase inhibitor. Bioorg Med Chem Lett. 2012 Sep 1;22(17):5625-9. Chemical & Physical Properties Molecular Formula C24H18FN3O2 Exact Mass 399.138306 PSA 67.60000 Appearance of Characters white to beige Index of Refraction 1.651 InChIKey WCIGMFCFPXZRMQ-UHFFFAOYSA-N |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available If applicable, the chemical meets the requirements of the Regulations on the Safety Management of Hazardous Chemicals (adopted by the State Council on January 9, 2002). |
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