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MAP855 , CAS No.M611729, Inhibitor of mitogen-activated protein kinase kinase 1
Basic Description
Synonyms
compound 30;MAP-855
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of mitogen-activated protein kinase kinase 1
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Phenylquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylquinolines
Alternative Parents
Imidazoquinolines Diarylethers Haloquinolines Imidazo-[4,5-c]pyridines N-acylpiperidines Phenol ethers Phenoxy compounds Chlorobenzenes Aryl fluorides N-substituted imidazoles Aryl chlorides Pyridines and derivatives Pyrimidines and pyrimidine derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylquinoline - Imidazoquinoline - Haloquinoline - Diaryl ether - N-acyl-piperidine - Imidazopyridine - Imidazo-[4,5-c]pyridine - Phenoxy compound - Phenol ether - Halobenzene - Chlorobenzene - N-substituted imidazole - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Pyridine - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organofluoride - Alcohol - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-[(3S,4S)-4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-hydroxyethanone
INCHI
InChI=1S/C28H23ClF2N6O3/c1-15-35-24-12-34-23-11-21(30)18(17-4-3-16(9-20(17)29)40-28-32-6-2-7-33-28)10-19(23)27(24)37(15)25-5-8-36(13-22(25)31)26(39)14-38/h2-4,6-7,9-12,22,25,38H,5,8,13-14H2,1H3/t22-,25-/m0/s1
InChIKey
WZZBNLYBHUDSHF-DHLKQENFSA-N
Smiles
Cc1nc2cnc3cc(c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)c1ccc(cc1Cl)Oc1ncccn1)F
Isomeric SMILES
CC1=NC2=C(N1[C@H]3CCN(C[C@@H]3F)C(=O)CO)C4=CC(=C(C=C4N=C2)F)C5=C(C=C(C=C5)OC6=NC=CC=N6)Cl
PubChem CID
90647159
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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