7-((2-Fluorophenyl)(pyridin-2-ylamino)methyl)quinolin-8-ol , CAS No.442642-02-6

CAS: 442642-02-6 Cat. No.: F668762 Peso molecular: 345.4

Synonyms

7-((2-fluorophenyl)(pyridin-2-ylamino)methyl)quinolin-8-ol | 7-[(2-fluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | SR-01000502642 | 7-[(2-fluorophenyl)(pyridin-2-ylamino)methyl]quinolin-8-ol | Oprea1_040384 | Oprea1_304106 | 7-[(2-fluorophenyl)-(

Storage

Room temperature

Specifications

Sinónimos

7-((2-fluorophenyl)(pyridin-2-ylamino)methyl)quinolin-8-ol | 7-[(2-fluorophenyl)[(pyridin-2-yl)amino]methyl]quinolin-8-ol | SR-01000502642 | 7-[(2-fluorophenyl)(pyridin-2-ylamino)methyl]quinolin-8-ol | Oprea1_040384 | Oprea1_304106 | 7-[(2-fluorophenyl)-(

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: 4.4

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=N4)F
• IUPAC Name: 7-[(2-fluorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
• InChIKey: MUKYQISWKUJOTN-UHFFFAOYSA-N
• INCHI: 1S/C21H16FN3O/c22-17-8-2-1-7-15(17)20(25-18-9-3-4-12-23-18)16-11-10-14-6-5-13-24-19(14)21(16)26/h1-13,20,26H,(H,23,25)
• Isómeros SMILES: C1=CC=C(C(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=N4)F
• Peso molecular: 345.4
• Reaxy-Rn: 21610851
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21610851&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass 8-hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: 8-hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 8-hydroxyquinolines
• Alternative Parents: Secondary alkylarylamines Fluorobenzenes Aminopyridines and derivatives 1-hydroxy-4-unsubstituted benzenoids Imidolactams Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-hydroxyquinoline - Aminopyridine - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary amine - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

P4HB Tchem Protein disulfide-isomerase (1 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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U-87 MG (3946 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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P4HB Tchem Protein disulfide-isomerase (716 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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Objetivos asociados (no humanos)

Cruzipain (33337 Activities)

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botA Botulinum neurotoxin type A (1303 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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ddn Putative uncharacterized protein (49 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 345.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 345.128 Da
• Monoisotopic Mass: 345.128 Da
• Topological Polar Surface Area: 58.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 451.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1