CAS 1072959-67-1|SR-3677
Introduction：Basic information about CAS 1072959-67-1|SR-3677, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | SR-3677 | ||
|---|---|---|---|
| CAS Number | 1072959-67-1 | Molecular Weight | 408.450 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 646.9±55.0 °C at 760 mmHg |
| Molecular Formula | C22H24N4O4 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 345.0±31.5 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
|---|---|
| Synonym | More Synonyms |
SR-3677 BiologicalActivity
| Description | SR-3677 is a potent and selective ROCK-II inhibitor with an IC50 of ~3 nM. |
|---|---|
| Related Catalog | Signaling Pathways >>Autophagy >>AutophagySignaling Pathways >>Cell Cycle/DNA Damage >>ROCKSignaling Pathways >>Stem Cell/Wnt >>ROCKSignaling Pathways >>TGF-beta/Smad >>ROCKResearch Areas >>Cancer |
| Target | ROCK-II:3 nM (IC50) ROCK-I:56 nM (IC50) |
| In Vitro | SR-3677 has an IC50 of ~3 nM in enzyme and cell based assays and has an off-target hit rate of 1.4% against 353 kinases, and inhibits only 3 out of 70 nonkinase enzymes and receptors. The IC50 value of SR-3677 for ROCK-I is 56±12 nM. The hydrophobic interaction of the benzodioxane phenyl ring with the hydrophobic surface of the pocket is the dominating factor that contributes to the high potency of SR-3677[1]. |
| In Vivo | ExVivo: Pharmacology studies shows that SR-3677 is efficacious in both, increasing ex vivoaqueous humor outflow in porcine eyes and inhibiting myosin light chain phosphorylation. Continuous exposure of 25 µM SR-3677 increases the outflow facility by 60% at 1 h perfusion, increasing to 70–80% for the 2–5 h time points[1]. |
| Kinase Assay | Assays are performed using the STK2 kinase system from Cisbio. 5 μL mixture of a 1 μM STK2 substrate and ATP (ROCK-I: 4 μM; ROCK-II: 20 μM) in STK-buffer is added to the wells. 20 nL of test compounds (SR-3677) is dispensed. Reaction is started by addition of 5 μL of 2.5 nM. ROCK-I or 0.5 nM ROCK-II in STK-buffer. After 4 h at RT the reaction is stopped by addition of 10 μL of 1x antibody and 62.5 nM Sa-XL in detection buffer[1]. |
| References | [1]. Feng Y, et al. Discovery of substituted 4-(pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as potent and highly selective Rho kinase (ROCK-II) inhibitors. J Med Chem. 2008 Nov 13;51(21):6642-5. |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 646.9±55.0 °C at 760 mmHg |
| Molecular Formula | C22H24N4O4 |
| Molecular Weight | 408.450 |
| Flash Point | 345.0±31.5 °C |
| Exact Mass | 408.179749 |
| PSA | 92.20000 |
| LogP | 2.34 |
| Vapour Pressure | 0.0±1.9 mmHg at 25°C |
| Index of Refraction | 1.632 |
| InChIKey | OQWZIAVXCYIZNN-UHFFFAOYSA-N |
| SMILES | CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1 |
| Storage condition | -20℃ |
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| RIDADR | NONH for all modes of transport |
Synonyms
| rs0088 |
| hms3244c10 |
| 1,4-Benzodioxin-2-carboxamide, N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro- |
| hms3244d09 |
| N-{2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| sr3677 |
| hms3244c09 |
| SR-3677 |
