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SR-3677

CAT: 0013-GTR19156474-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156474-02Size:200 mg
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Description
SR-3677 is an effective and specific inhibitor of ROCK2 (IC50: 3 nM) . (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. (In Vivo) : Pharmacology studies shows that SR-3677 is efficacious in both, increasing ex vivo aqueous 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.
CAS Number
1072959-67-1
Purity
>98% (HPLC)
Solubility
DMSO:40 mg/mL (97.93 mM)
Smiles
CN (C) CCOC1=C (NC (C2OC (C=CC=C3) =C3OC2) =O) C=CC (C4=CNN=C4) =C1
Molecular Formula
C22H24N4O4
Molecular Weight
408.45
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CAS Number1072959-67-1
PubChem CID25093235
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Molecular FormulaC22H24N4O4
Molecular Weight408.4
XLogP2.5
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity563
SMILES
CN(C)CCOC1=C(C=CC(=C1)C2=CNN=C2)NC(=O)C3COC4=CC=CC=C4O3
InChI
InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)
InChIKey
OQWZIAVXCYIZNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CAS: 1072959-67-1
CID: 25093235
Formula: C22H24N4O4
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass408.17975526
Monoisotopic Mass408.17975526
Topological Polar Surface Area88.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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