![N-(6-Fluoro-1H-indazol-5-yl)-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydro-3-pyridinecarboxamide structure, CAS 864082-47-3](/structures/60000/58520_1_864082_47_3.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 864082-47-3 |
| Catalog No. | 2A-9058520 |
| Chinese Name | GSK429286A |
| Synonyms | cc-634; dihydropyridone indazole amide 15; S1474_Selleck; GSK429286A |
| Molecular Formula | C26H22O3N7F1 |
| Molecular Weight | 499.5 |
| Purity | 98.00 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 688.4±55.0 °C at 760 mmHg |
| Appearance | white to beige |
| Water Solubility | DMSO: ≥10mg/mL |
| Storage Condition | 2-8°C |
| Application | GSK429286A is a selective ROCK1 inhibitor with an IC50 value of 14 nM. |
| MDL Number | MFCD30489722 |
| SMILES | CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1 |
| InChI Key | OLIIUAHHAZEXEX-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/58520_1_864082_47_3.pdf |
| Bioactivity | GSK429286A is a selective inhibitor of ROCK1 with an IC50 value of 14 nM. Related Catalog Signaling Pathways >> Cell Cycle/DNA Damage >> ROCK Signaling Pathways >> Stem Cell/Wnt >> ROCK Signaling Pathways >> TGF-beta/Smad >> ROCK Research Areas >> Cancer Target ROCK1:14 nM (IC50) RSK:780 nM (IC50) p70S6K:1940 nM (IC50) In Vitro GSK429286A at 1 μM reduces ROCK2 activity over 20-fold, under conditions in which the only other kinase tested that is significantly inhibited is MSK1 whose activity is reduced ~5-fold. GSK429286A is a more selective ROCK2 inhibitor than the widely utilized ROCK inhibitor Y-27632 as assessed on kinase-specificity panel, and does not significantly inhibit LRRK2 even at doses as high as 30 μM (500-fold higher than IC50 of inhibition of ROCK2). GSK429286A slightly inhibits RSK and p70S6K with IC50 of 0.78 μM and 1.94 μM, respectively. GSK429286A significantly inhibits rat aortic ring dilation with IC50 of 190 nM[2]. In Vivo GSK429286A has 61% oral bioavailability in male Sprague-Dawley rats. Oral administration of GSK429286A at single doses of 3-30 mg/kg dramatically reduces mean arterial pressure in the spontaneously hypertensive rats (SHRs) in a dose-dependent manner, with a maximum decrease of 50 mmHg after approximately 2 hours treatment at dose of 30 mg/kg[1]. Animal Admin Rats: Spontaneously hypertensive rats (SHRs) are treated with GSK429286A to establish its effect on mean arterial pressure. Compound is administered by single dose oral gavage (3, 10, 30 mg/kg)[1]. References [1]. Goodman KB et al Development of dihydropyridone indazole amides as selective Rho-kinase inhibitors. J Med Chem. 2007 Jan 11;50(1):6-9. [2]. Nichols RJ et al Substrate specificity and inhibitors of LRRK2, a protein kinase mutated in Parkinson's disease. Biochem J. 2009 Oct 23;424(1):47-60. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 688.4±55.0 °C at 760 mmHg Molecular Formula C21H16F4N4O2 Molecular Weight 432.371 Flash Point 370.2±31.5 °C Exact Mass 432.120941 PSA 90.37000 LogP 3.97 Appearance of Characters white to beige Vapour Pressure 0.0±2.1 mmHg at 25°C Index of Refraction 1.627 InChIKey OLIIUAHHAZEXEX-UHFFFAOYSA-N SMILES CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1 Storage condition 2-8°C Water Solubility DMSO: ≥10mg/mL |
| Use of | GSK429286A is a selective inhibitor of ROCK1 with an IC50 value of 14 nM. Properties Name N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide Synonym More Synonyms GSK429286A Biological Activity Description GSK429286A is a selective inhibitor of ROCK1 with an IC50 value of 14 nM. Related Catalog Signaling Pathways >> Cell Cycle/DNA Damage >> ROCK Signaling Pathways >> Stem Cell/Wnt >> ROCK Signaling Pathways >> TGF-beta/Smad >> ROCK Research Areas >> Cancer ROCK1:14 nM (IC50) RSK:780 nM (IC50) p70S6K:1940 nM (IC50) In Vitro GSK429286A at 1 μM reduces ROCK2 activity over 20-fold, under conditions in which the only other kinase tested that is significantly inhibited is MSK1 whose activity is reduced ~5-fold. GSK429286A is a more selective ROCK2 inhibitor than the widely utilized ROCK inhibitor Y-27632 as assessed on kinase-specificity panel, and does not significantly inhibit LRRK2 even at doses as high as 30 μM (500-fold higher than IC50 of inhibition of ROCK2). GSK429286A slightly inhibits RSK and p70S6K with IC50 of 0.78 μM and 1.94 μM, respectively. GSK429286A significantly inhibits rat aortic ring dilation with IC50 of 190 nM[2]. References [1]. Goodman KB et al Development of dihydropyridone indazole amides as selective Rho-kinase inhibitors. J Med Chem. 2007 Jan 11;50(1):6-9. [2]. Nichols RJ et al Substrate specificity and inhibitors of LRRK2, a protein kinase mutated in Parkinson's disease. Biochem J. 2009 Oct 23;424(1):47-60. Chemical & Physical Properties Molecular Formula C21H16F4N4O2 Exact Mass 432.120941 PSA 90.37000 Appearance of Characters white to beige Index of Refraction 1.627 InChIKey OLIIUAHHAZEXEX-UHFFFAOYSA-N |
| Transport Info | Product name: Purity: 99.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (N-(6-Fluoro-1H-indazol-5-yl)-1,4,5,6-tetrahydro-2- methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-3-pyridinecarboxamide) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (N-(6-Fluoro-1H-indazol-5-yl)-1,4,5,6-tetrahydro-2- methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-3-pyridinecarboxamide) International air transport hazard regulations: Toxic solid, organic, n.o.s. (N-(6-Fluoro-1H-indazol-5-yl)-1,4,5,6-tetrahydro-2-methyl-6-oxo- 4-[4-(trifluoromethyl)phenyl]-3-pyridinecarboxamide) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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