≥98% 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.
MK2-IN-1 hydrochloride is a potent and selecitve MAPKAPK2(MK2) inhibitor(IC50=0.11 uM) with a non-ATP competitive binding mode.IC50 value: 0.11 uM Target: MAPKAPK2(MK2) inhibitorMK2-IN-1 was profiled for kinase selectivity by screening against a broad panel of 150 protein kinases at a concentration of 10 μM, and only CK1γ3 was significantly inhibited at greater than 50%. MK2-IN-1 inhibited pro-inflammatory cytokine secretion from the human THP1 acute monocytic leukemia cell line, causing dose-dependent inhibition of LPS-stimulated TNFα and IL6 secretion. MK2-IN-1 also dose dependently inhibited IL1β-stimulated matrixmetalloprotease (MMP)13 secretion from the SW1353 chondrosarcoma cell line and human primary chondrocyte cultures. Of note, given its high degree of selectivity, our data suggest that MK2-IN-1 may be an excellent pharmacologic tool for specifically exploring and validating MK2 biology .
Form:Solid
| Canonical Smiles | C1CN(CCN1)C2=CC=C(C=C2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(O4)C5=CC=C(C=C5)Cl.Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;hydrochloride |
| InChIKey | AZDOSXSDARWKGX-UHFFFAOYSA-N |
| INCHI | 1S/C27H25ClN4O2.ClH/c28-21-6-4-20(5-7-21)25-12-13-26(34-25)27(33)32(19-22-3-1-2-14-30-22)24-10-8-23(9-11-24)31-17-15-29-16-18-31;/h1-14,29H,15-19H2;1H |
| Isomeric SMILES | C1CN(CCN1)C2=CC=C(C=C2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(O4)C5=CC=C(C=C5)Cl.Cl |
| PubChem CID | 70681199 |
| Molecular Weight | 509.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides - Furanilides |
| Direct Parent | 2-furanilides |
| Alternative Parents | Phenylpiperazines N-arylpiperazines 2-heteroaryl carboxamides Aniline and substituted anilines Furoic acid and derivatives Dialkylarylamines Chlorobenzenes Pyridines and derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkylamines Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organooxygen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-furanilide - Phenylpiperazine - N-arylpiperazine - 2-heteroaryl carboxamide - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Piperazine - Pyridine - Aryl chloride - Aryl halide - 1,4-diazinane - Tertiary carboxylic acid amide - Heteroaromatic compound - Furan - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Oxacycle - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Hydrochloride - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide. |
| External Descriptors | Not available |
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| Solubility | H2O : ≥ 100 mg/mL (196.30 mM) DMSO : 100 mg/mL (196.30 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 509.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 508.143 Da |
| Monoisotopic Mass | 508.143 Da |
| Topological Polar Surface Area | 61.600 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 645.000 |
| 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 |
