CGP 52411 , CAS No.145915-58-8

CAS: 145915-58-8 Cat. No.: C275419 Fórmula: C₂₀H₁₅N₃O₂ Peso molecular: 329.35

Synonyms

4,5-dianilinophthalimide | CGP52411 | Cgp-52411 | DAPH, >=98% (HPLC), solid | DAPH-1 | Z13D008FZ2 | CGP52411;CGP-52411;DAPH | MS-24942 | AKOS024457581 | HY-103442 | 5,6-Bis(phenylamino)-1H-isoindole-1,3(2H)-dione | 5,6-Bis-phenylamino-isoindole-1,3-dione

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Shipped at Room Temperature. Store at Room Temperature.

Specifications

Sinónimos

4,5-dianilinophthalimide | CGP52411 | Cgp-52411 | DAPH, >=98% (HPLC), solid | DAPH-1 | Z13D008FZ2 | CGP52411;CGP-52411;DAPH | MS-24942 | AKOS024457581 | HY-103442 | 5,6-Bis(phenylamino)-1H-isoindole-1,3(2H)-dione | 5,6-Bis-phenylamino-isoindole-1,3-dione

Mecanismos bioquímicos y fisiológicos

Biological description': "Selective inhibitor of the epidermal growth factor receptor (EGFR) (IC 50 = 0.3 μ M in vitro ). Inhibits and reverses the formation of A β 42 fibers associated with Alzheimer's disease.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nota

Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4
• IUPAC Name: 5,6-dianilinoisoindole-1,3-dione
• InChIKey: AAALVYBICLMAMA-UHFFFAOYSA-N
• INCHI: 1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
• Isómeros SMILES: C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4
• WGK Alemania: 3
• Peso molecular: 329.35
• Reaxy-Rn: 6818620
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6818620&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Aniline and substituted anilines N-unsubstituted carboxylic acid imides Amino acids and derivatives Secondary amines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Amino acid or derivatives - Carboxylic acid derivative - Secondary amine - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• External Descriptors: phthalimides

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)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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VDR Tclin Vitamin D receptor (26531 Activities)

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KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

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APP Tclin Amyloid-beta A4 protein (8510 Activities)

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GLA Tclin Alpha-galactosidase A (5444 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

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PRKACA Tchem cAMP-dependent protein kinase alpha-catalytic subunit (3475 Activities)

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

Discover Target: PIN1

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HEK293 (82097 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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THPO Tbio Thrombopoietin (834 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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PRKD3 Tchem Protein kinase C (PKC) (1010 Activities)

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PDGFRB Tclin Platelet-derived growth factor receptor (507 Activities)

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GNAI1 Tbio Guanine nucleotide-binding protein G(i) subunit alpha-1/Regulator of G-protein signaling 12 (61 Activities)

Discover Target: GNAI1

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Objetivos asociados (no humanos)

Cruzipain (33337 Activities)

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polC DNA polymerase III (243 Activities)

Discover Target: polC

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Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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Hdac6 Histone deacetylase 6 (222 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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Balb/MK (67 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 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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nfo Endonuclease 4 (425 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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SUP35 Eukaryotic peptide chain release factor GTP-binding subunit (44 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM and in ethanol to 25 mM
• Peso molecular: 329.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 329.116 Da
• Monoisotopic Mass: 329.116 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 453.000
• 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