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MK2-IN-3 hydrate

CAT: 0013-GTR19176647-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176647-01Size:5 mg
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Description
MK2-IN-3 hydrate is a potent, selective, and orally bioavailable ATP-competitive inhibitor of MAPKAP-K2 (MK-2), exhibiting an IC50 of 0.85 nM. This small molecule is a valuable research tool for investigating MK-2 signaling in inflammatory diseases and cancer, with utility in both cellular and animal models of these conditions.
CAS Number
1186648-22-5
Product Name Alternative
MAP kinase activated protein kinase 2, MAPK activated protein kinase 2, MAPKAP kinase 2, MAPKAPK2 (MK2), ERK2, Mitogen-activated protein kinase activated protein kinase 2, MK5, MK-5, MK-3, MK-2 Inhibitor III, MK2 IN 3 hydrate, MK2IN3 hydrate, MK-2-IN-3 hydrate, MK2-IN-3 Hydrate, MK3, MK2, MK-2, MNK1, inhibit, Inhibitor
Field of Research
Signal Transduction
Purity
99.14% (May vary between batches)
Solubility
DMSO:65 mg/mL (181.37 mM)
Smiles
O=C1C2=C (NC (C3=CC (C4=CC5=CC=CC=C5N=C4) =NC=C3) =C2) CCN1.[H]O[H]
Molecular Formula
C21H18N4O2
Molecular Weight
358.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2-(Quinolin-3-yl)pyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one hydrate
CAS Number1186648-22-5
PubChem CID25163932
IUPAC Name2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrate
Molecular FormulaC21H18N4O2
Molecular Weight358.4
Topological Polar Surface Area71.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity526
SMILES
C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)C4=CC5=CC=CC=C5N=C4.O
InChI
InChI=1S/C21H16N4O.H2O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15;/h1-5,7,9-12,25H,6,8H2,(H,23,26);1H2
InChIKey
NIKCVKMHGQQSRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(Quinolin-3-yl)pyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one hydrate
CAS: 1186648-22-5
CID: 25163932
Formula: C21H18N4O2
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass358.14297583
Monoisotopic Mass358.14297583
Topological Polar Surface Area71.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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