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CCG258208

CAT: 0013-GTR19204325-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204325-02Size:50 mg
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Description
GRKs-IN-1 is a potent and selective small molecule inhibitor, demonstrating high activity against GRK2 (IC50 = 130 nM) and moderate activity against GRK5 (IC50 = 7.1 μM) . This compound is a valuable research tool for investigating GRK2/5 signaling pathways in cardiovascular and oncology research, applicable in both cellular and biochemical assays.
CAS Number
2055990-90-2
Field of Research
Pharmacology & Drug Discovery
Smiles
C (OC=1C=C2C (=CC1) OCO2) [C@H]3[C@@H] (CCNC3) C4=CC (C (NCC=5C=CNN5) =O) =C (F) C=C4
Molecular Formula
C24H25FN4O4
Molecular Weight
452.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(3s,4r)-3-{[(2h-1,3-Benzodioxol-5-Yl)oxy]methyl}piperidin-4-Yl]-2-Fluoro-N-[(1h-Pyrazol-5-Yl)methyl]benzamide
CAS Number2055990-90-2
PubChem CID126476626
IUPAC Name5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide
Molecular FormulaC24H25FN4O4
Molecular Weight452.5
XLogP2.6
Topological Polar Surface Area97.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity658
SMILES
C1CNC[C@H]([C@@H]1C2=CC(=C(C=C2)F)C(=O)NCC3=CC=NN3)COC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C24H25FN4O4/c25-21-3-1-15(9-20(21)24(30)27-12-17-5-8-28-29-17)19-6-7-26-11-16(19)13-31-18-2-4-22-23(10-18)33-14-32-22/h1-5,8-10,16,19,26H,6-7,11-14H2,(H,27,30)(H,28,29)/t16-,19-/m0/s1
InChIKey
XQUKEAYUAYTIBV-LPHOPBHVSA-N
Chemical Structure
2D Structure
2D structure of 5-[(3s,4r)-3-{[(2h-1,3-Benzodioxol-5-Yl)oxy]methyl}piperidin-4-Yl]-2-Fluoro-N-[(1h-Pyrazol-5-Yl)methyl]benzamide
CAS: 2055990-90-2
CID: 126476626
Formula: C24H25FN4O4
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass452.18598345
Monoisotopic Mass452.18598345
Topological Polar Surface Area97.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity658
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-109562CCG258208
MBS5797133CCG258208 hydrochloride
HY-109562A-01CCG258208 (hydrochloride)
A20131-100CCG258208 hydrochloride (GRK2-IN-1) 100mg
A20131-25CCG258208 hydrochloride (GRK2-IN-1) 25mg
A20131-50CCG258208 hydrochloride (GRK2-IN-1) 50mg

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