≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
MK-2 Inhibitor III is a cell-permeable pyrrolopyridinyl compound that acts as a potent, selective, and ATP-biniding site-targeting MK-2/MAPKAP-K2 inhibitor (IC|50|= 8.5, 81, and 210 nM agaisnt MAPKAPK-2 (MK-2), PRAK(MK-5), and 3pK(MK-3), respectively), while exhibiting much less or no activity against 8 other commonly studied kinases. Shown to suppress LPS-induced TNF-α production in U937 cells (IC|50|= 4.4 μM).
| Canonical Smiles | C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)C4=CC5=CC=CC=C5N=C4.O |
|---|---|
| IUPAC Name | 2-(2-quinolin-3-ylpyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrate |
| InChIKey | NIKCVKMHGQQSRN-UHFFFAOYSA-N |
| 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 |
| Isomeric SMILES | C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)C4=CC5=CC=CC=C5N=C4.O |
| PubChem CID | 25163932 |
| Molecular Weight | 358.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Bipyridines and oligopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bipyridines and oligopyridines |
| Alternative Parents | Quinolines and derivatives Pyrrolopyridines Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Bipyridine - Quinoline - Pyrrolopyridine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO (50 mg/ml). |
|---|---|
| Refractive Index | n20D1.70 (Predicted) |
| Boil Point(°C) | 784.9° C at 760 mmHg (Predicted) |
| Molecular Weight | 358.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 358.143 Da |
| Monoisotopic Mass | 358.143 Da |
| Topological Polar Surface Area | 71.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 526.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
