| Identification | Back Directory | [Name]
1-Propanone, 3-(3,4-dihydroxyphenyl)-1-[hexahydro-4-(5-isoquinolinylsulfonyl)-1H-1,4-diazepin-1-yl]- | [CAS]
3031515-48-4 | [Synonyms]
1-Propanone, 3-(3,4-dihydroxyphenyl)-1-[hexahydro-4-(5-isoquinolinylsulfonyl)-1H-1,4-diazepin-1-yl]- | [Molecular Formula]
C23H25N3O5S | [MOL File]
3031515-48-4.mol | [Molecular Weight]
455.53 |
| Chemical Properties | Back Directory | [Boiling point ]
761.7±70.0 °C(predicted) | [density ]
1.396±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted) | [pka]
9.82±0.10(predicted) |
| Hazard Information | Back Directory | [Uses]
ROCK2-IN-5 (compound 1d) is a hybrid compound containing structural fragments of the Rho kinase inhibitor fasudil and the NRF2 inducers caffeic and ferulic acids. ROCK2-IN-5 has good multitarget profile and good tolerability. ROCK2-IN-5 has the potential for thr research of Amyotrophic lateral sclerosis (ALS) with a SOD1 mutation[1]. | [IC 50]
ROCK2: 2.13 μM (IC50) | [References]
[1] Martín-Cámara O, et al. Multitarget Hybrid Fasudil Derivatives as a New Approach to the Potential Treatment of Amyotrophic Lateral Sclerosis. J Med Chem. 2022;65(3):1867-1882. DOI:10.1021/acs.jmedchem.1c01255 |
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