GI-560708 - ≥98% , CAS No.2362-25-6

CAS: 2362-25-6 Cat. No.: G418002 Summenformel: C₂₀H₁₈N₄O₂ Molekulargewicht: 346.38

GRADE & PURITY ≥98%

Synonyms

HMS2841O04 | SMR000518644 | N,N'-benzene-1,3-diylbis(4-aminobenzamide) | Benzamide, N,N'-1,3-phenylenebis[4-amino- | DTXSID20354077 | MLS001202899 | AKOS000634907 | GI-560708 | Oprea1_209403 | STL089888 | 1,3-di(4-aminophenylcarboxamido)benzene | 4-AMINO-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

inhibitors of BCR-ABL tyrosine kinase

Specifications

Synonyme

HMS2841O04 | SMR000518644 | N,N'-benzene-1,3-diylbis(4-aminobenzamide) | Benzamide, N,N'-1,3-phenylenebis[4-amino- | DTXSID20354077 | MLS001202899 | AKOS000634907 | GI-560708 | Oprea1_209403 | STL089888 | 1,3-di(4-aminophenylcarboxamido)benzene | 4-AMINO-

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98%

Produkteigenschaften

• ALogP: 1.906
• hba_count: 2
• HBD-Zahl: 4
• Rotationsfähige Bindung: 4

Namen und Kennungen

• Pubchem Sid: 528764600
• Kanonisches Lächeln: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N)NC(=O)C3=CC=C(C=C3)N
• IUPAC Name: 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
• InChIKey: OEIUYPYXOYZUAX-UHFFFAOYSA-N
• INCHI: 1S/C20H18N4O2/c21-15-8-4-13(5-9-15)19(25)23-17-2-1-3-18(12-17)24-20(26)14-6-10-16(22)11-7-14/h1-12H,21-22H2,(H,23,25)(H,24,26)
• Isomere SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N)NC(=O)C3=CC=C(C=C3)N
• Molekulargewicht: 346.38
• Reaxy-Rn: 2821343
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2821343&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Aromatic anilides
          • Ebene6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Aminobenzoic acids and derivatives Benzamides Benzoyl derivatives Aniline and substituted anilines Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Zugehörige Ziele (menschlich)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: PLK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

K562 (73714 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 346.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 346.143 Da
• Monoisotopic Mass: 346.143 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 440.000
• 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