NSC61610 , CAS No.500538-94-3

CAS: 500538-94-3 Cat. No.: N647771 Summenformel: C₃₄H₂₄N₆O₂ Molekulargewicht: 548.59 PubChem CID: 247228

Synonyms

N~1~,N~4~-Bis(3-(1H-benzimidazol-2-yl)phenyl)terephthalamide | BDBM47836 | HY-102019 | DTXSID101164321 | N1,N4-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide | 1-N,4-dicarboxamide | AKOS005166265 | HMS2858D17 | N,N'-bis[3-(1H-benzimidazol-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

NSC61610 disrupts hIL-18 binding to the ectromelia virus IL-18BP. NSC61610 inhibits hIL-18:ectvIL-18BP complex formation with an IC 50 about 6 uM.

In Vitro

NSC61610 has a predicted Ki value of 88 nM between β strands β5 and β8 (virtual screening). NSC61610 inhibits hIL-18:ectvIL-18BP complex formation with an IC 50 about 6 uM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyme

N~1~,N~4~-Bis(3-(1H-benzimidazol-2-yl)phenyl)terephthalamide | BDBM47836 | HY-102019 | DTXSID101164321 | N1,N4-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide | 1-N,4-dicarboxamide | AKOS005166265 | HMS2858D17 | N,N'-bis[3-(1H-benzimidazol-2-

Biochemische und physiologische Mechanismen

NSC61610 disrupts hIL-18 binding to the ectromelia virus IL-18BP . NSC61610 inhibits hIL-18:ectvIL-18BP complex formation with an IC 50 about 6u2009uM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)C6=NC7=CC=CC=C7N6
• IUPAC Name: 1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
• InChIKey: WSXIJTIFOWCMIQ-UHFFFAOYSA-N
• INCHI: 1S/C34H24N6O2/c41-33(35-25-9-5-7-23(19-25)31-37-27-11-1-2-12-28(27)38-31)21-15-17-22(18-16-21)34(42)36-26-10-6-8-24(20-26)32-39-29-13-3-4-14-30(29)40-32/h1-20H,(H,35,41)(H,36,42)(H,37,38)(H,39,40)
• Isomere SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC(=C5)C6=NC7=CC=CC=C7N6
• Alternative CAS-Nummer: 500538-94-3
• PubChem CID: 247228
• NSC-Nummer: 61610
• Molekulargewicht: 548.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Benzanilides Phenylimidazoles Benzamides Benzoyl derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Phenylbenzimidazole - Aromatic anilide - 2-phenylimidazole - Benzamide - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
• 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

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

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POLB Tchem DNA polymerase beta (23632 Activities)

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

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ATM Tchem Serine-protein kinase ATM (4198 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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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 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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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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

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

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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Streptococcus (3973 Activities)

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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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Luciferin 4-monooxygenase (66902 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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ska Streptokinase A (5805 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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FTL Ferritin light chain (43324 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 548.600 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 548.196 Da
• Monoisotopic Mass: 548.196 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 865.000
• 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