4-(2-Chloro-10h-Phenoxazin-10-Yl)-N,N-Diethylbutan-1-Amine , CAS No.117848-05-2

CAS: 117848-05-2 Cat. No.: C669104 Peso molecular: 344.9 PubChem CID: 10521421

Synonyms

10-DEBC | NCGC00167772-01 | 4-(2-Chloro-10h-Phenoxazin-10-Yl)-N,N-Diethylbutan-1-Amine | 10H-Phenoxazine-10-butanamine, 2-chloro-N,N-diethyl- | 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine | 10-(4'-(N-diethylamino)butyl)-2-chlorophenoxazine, HCl

Storage

Room temperature

Specifications

Sinónimos

10-DEBC | NCGC00167772-01 | 4-(2-Chloro-10h-Phenoxazin-10-Yl)-N, N-Diethylbutan-1-Amine | 10H-Phenoxazine-10-butanamine, 2-chloro-N, N-diethyl- | 4-(2-chlorophenoxazin-10-yl)-N, N-diethylbutan-1-amine | 10-(4'-(N-diethylamino)butyl)-2-chlorophenoxazine, HCl

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: 5.3

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)CCCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl
• IUPAC Name: 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine
• InChIKey: GYBXAGDWMCJZJK-UHFFFAOYSA-N
• INCHI: 1S/C20H25ClN2O/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3
• Isómeros SMILES: CCN(CC)CCCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl
• PubChem CID: 10521421
• Peso molecular: 344.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazines
      • Subclass Phenoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazines
• Subclass: Phenoxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-substituted phenoxazines
• Alternative Parents: Alkyldiarylamines Diarylethers Benzenoids Aryl chlorides Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-substituted phenoxazine - Alkyldiarylamine - Diaryl ether - Tertiary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-substituted phenoxazines. These are phenoxyazines where the nitrogen atom is linked to an atom other than the hydrogen atom.
• 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)

PIM1 Tchem Serine/threonine-protein kinase pim-1 (0 Activities)

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ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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PDGFRB Tclin Platelet-derived growth factor receptor beta (5195 Activities)

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IGF1R Tclin Insulin-like growth factor I receptor (8605 Activities)

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KIT Tclin Stem cell growth factor receptor (10667 Activities)

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DAPK3 Tchem Death-associated protein kinase 3 (2108 Activities)

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MAPK11 Tchem MAP kinase p38 beta (2785 Activities)

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LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

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MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

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GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

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PRKCZ Tchem Protein kinase C zeta (2414 Activities)

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MAP2K6 Tchem Dual specificity mitogen-activated protein kinase kinase 6 (1284 Activities)

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MYLK Tchem Myosin light chain kinase, smooth muscle (1267 Activities)

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CSNK1G1 Tchem Casein kinase I gamma 1 (2496 Activities)

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FGFR2 Tclin Fibroblast growth factor receptor 2 (3405 Activities)

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FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

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STK3 Tchem Serine/threonine-protein kinase MST2 (3069 Activities)

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

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CAMK2B Tchem CaM kinase II beta (1626 Activities)

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SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

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CHEK2 Tchem Serine/threonine-protein kinase Chk2 (4015 Activities)

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PDPK1 Tchem 3-phosphoinositide dependent protein kinase-1 (3758 Activities)

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AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

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AKT3 Tchem Serine/threonine-protein kinase AKT3 (3157 Activities)

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CHUK Tchem Inhibitor of nuclear factor kappa B kinase alpha subunit (3170 Activities)

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IKBKB Tchem Inhibitor of nuclear factor kappa B kinase beta subunit (5554 Activities)

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DAPK2 Tchem Death-associated protein kinase 2 (740 Activities)

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AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)

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RPS6KA4 Tchem Ribosomal protein S6 kinase alpha 4 (2104 Activities)

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ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

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PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)

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PKN2 Tchem Protein kinase N2 (1991 Activities)

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CSK Tchem Tyrosine-protein kinase CSK (2395 Activities)

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JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)

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RPS6KA5 Tchem Ribosomal protein S6 kinase alpha 5 (3355 Activities)

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PRKCE Tchem Protein kinase C epsilon (1520 Activities)

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PRKCG Tchem Protein kinase C gamma (2471 Activities)

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PRKCI Tchem Protein kinase C iota (2821 Activities)

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PRKD1 Tchem Protein kinase C mu (1904 Activities)

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RAF1 Tclin Serine/threonine-protein kinase RAF (4169 Activities)

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SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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ITK Tclin Tyrosine-protein kinase ITK/TSK (3699 Activities)

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RPS6KA1 Tchem Ribosomal protein S6 kinase alpha 1 (2796 Activities)

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JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)

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RPS6KA6 Tchem Ribosomal protein S6 kinase alpha 6 (2027 Activities)

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CAMK1 Tchem CaM kinase I alpha (1664 Activities)

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CAMK4 Tbio CaM kinase IV (2116 Activities)

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Objetivos asociados (no humanos)

Prkcd Protein kinase C delta (192 Activities)

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Prkcb Protein kinase C beta (2 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Fgfr4 Fibroblast growth factor receptor 4 (138 Activities)

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

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Camk2g CaM kinase II gamma (1 Activities)

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Tec Tyrosine-protein kinase TEC (25 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 344.900 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 344.166 Da
• Monoisotopic Mass: 344.166 Da
• Topological Polar Surface Area: 15.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 377.000
• 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: 1