NSC-60339 - ≥98% , CAS No.70-09-7

CAS: 70-09-7 Cat. No.: N412582 Formula: C₂₆H₂₃ClN₆O₂ Peso molecolare: 486.95

GRADE & PURITY ≥98%

Synonyms

SMR000528281 | 2-chloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide | AKOS040742314 | Glycopeptide, 3b | NSC 60339 | 2-Chloro-4',4''-di-2-imidazolin-2-yl-terephthalanilide | 2-chloro-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

NSC-60339 is an efflux pump inhibitor and a substrate of AcrAB-TolC. NSC-60339 is a polybasic terephthalic acid derivative that has been studied as a potential cancer chemotherapeutic agent.

Specifications

Sinonimi

SMR000528281 | 2-chloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide | AKOS040742314 | Glycopeptide, 3b | NSC 60339 | 2-Chloro-4',4''-di-2-imidazolin-2-yl-terephthalanilide | 2-chloro-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

NSC-60339 is an efflux pump inhibitor and a substrate of AcrAB-TolC. NSC-60339 is a polybasic terephthalic acid derivative that has been studied as a potential cancer chemotherapeutic agent.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508810998
• Sorrisi canonici: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)Cl
• IUPAC Name: 2-chloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
• InChIKey: UJQGBYRKCZQJJS-UHFFFAOYSA-N
• INCHI: 1S/C26H23ClN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
• Isomeri SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)Cl
• Peso molecolare: 486.95
• Reaxy-Rn: 968014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=968014&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Imidolactams Vinylogous halides Imidazolines Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxamidines Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Imidolactam - Vinylogous halide - 2-imidazoline - Carboxamide group - Secondary carboxylic acid amide - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid amidine - Amidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Obiettivi associati (umani)

POLB Tchem DNA polymerase beta (23632 Activities)

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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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HEK293 (82097 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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

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UBE2N Tchem Ubiquitin-conjugating enzyme E2 N (1570 Activities)

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BCL2A1 Tchem Bcl-2-related protein A1 (291 Activities)

Discover Target: BCL2A1

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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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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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SUMO1 Tbio Small ubiquitin-related modifier 1 (633 Activities)

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RAD54L Tbio DNA repair and recombination protein RAD54-like (409 Activities)

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RACGAP1 Tbio Rac GTPase-activating protein 1 (2057 Activities)

Discover Target: RACGAP1

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WRN Tbio Werner syndrome ATP-dependent helicase (8824 Activities)

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Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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HSP40, subfamily A, putative (505 Activities)

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vpr Aberrant vpr protein (14595 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 487.000 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 486.157 Da
• Monoisotopic Mass: 486.157 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 832.000
• 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