1072959-67-1

1072959-67-1 structure

Name: SR-3677
Chemical Name: N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CAS Number: 1072959-67-1
Molecular Formula: C₂₂H₂₄N₄O₄
Molecular Weight: 408.450
Catalog: Signaling Pathways Autophagy Autophagy
Create Date: 2018-12-09 08:22:31
Modify Date: 2024-01-05 09:41:04
SR-3677 is a potent and selective ROCK-II inhibitor with an IC50 of ~3 nM.

Name	N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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

Description	SR-3677 is a potent and selective ROCK-II inhibitor with an IC50 of ~3 nM.
Related Catalog	Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Cell Cycle/DNA Damage >> ROCK Signaling Pathways >> Stem Cell/Wnt >> ROCK Signaling Pathways >> TGF-beta/Smad >> ROCK Research 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.

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
Storage condition	-20℃

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
RIDADR	NONH for all modes of transport

269410-08-4

1072906-06-9

1072959-67-1

Literature: Feng, Yangbo; Yin, Yan; Weiser, Amiee; Griffin, Evelyn; Cameron, Michael D.; Lin, Li; Ruiz, Claudia; Schuerer, Stephan C.; Inoue, Toshihiro; Rao, P. Vasanth; Schroeter, Thomas; LoGrasso, Philip Journal of Medicinal Chemistry, 2008 , vol. 51, # 21 p. 6642 - 6645

Precursor 2
269410-08-4 1072906-06-9
DownStream 0

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