Caerulomycin A - ≥98%(HPLC), from Streptomyces caeruleus , CAS No.21802-37-9

CAS: 21802-37-9 Cat. No.: C475412 Peso molecular: 229.23 Número EC: 662-918-3

GRADE & PURITY ≥98%(HPLC), from Streptomyces caeruleus

Synonyms

(E)-4-methoxy-(2,2'-bipyridine)-6-carbaldehyde oxime | Q27137576 | (Z)-4-methoxy-2,2-bipyridine-6-carbaldehyde oxime | AC-35769 | (E)-4-Methoxy[2,2'-bipyridine]-6-carboxaldehyde oxime | (E)-N-hydroxy-1-(4-methoxy-2,2'-bipyridin-6-yl)methanimine | MFCD0309

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Description

Preparation instructions

Caerulomycin A stock solution may be prepared in DMSO or methanol at 1 mg/mL. The stock solution can be further diluted in water to 0.1 mg/mL. Higher concentrations my requrie gentle heating to 40 °C. Dilutions from the stock solution should be freshly prepared.

Specifications

Sinónimos

(E)-4-methoxy-(2, 2'-bipyridine)-6-carbaldehyde oxime | Q27137576 | (Z)-4-methoxy-2, 2-bipyridine-6-carbaldehyde oxime | AC-35769 | (E)-4-Methoxy[2, 2'-bipyridine]-6-carboxaldehyde oxime | (E)-N-hydroxy-1-(4-methoxy-2, 2'-bipyridin-6-yl)methanimine | MFCD0309

Especificaciones y pureza

≥98%(HPLC), from Streptomyces caeruleus

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=NC(=C1)C2=CC=CC=N2)C=NO
• IUPAC Name: (NE)-N-[(4-methoxy-6-pyridin-2-ylpyridin-2-yl)methylidene]hydroxylamine
• InChIKey: JCTRJRHLGOKMCF-RIYZIHGNSA-N
• INCHI: 1S/C12H11N3O2/c1-17-10-6-9(8-14-16)15-12(7-10)11-4-2-3-5-13-11/h2-8,16H,1H3/b14-8+
• Isómeros SMILES: COC1=CC(=NC(=C1)C2=CC=CC=N2)/C=N/O
• Peso molecular: 229.23
• Reaxy-Rn: 19120920
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19120920&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Aldoximes Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Alkyl aryl ether - Heteroaromatic compound - Aldoxime - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• External Descriptors: aromatic ether - pyridine alkaloid - bipyridines - aldoxime

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)

HL-60 (67320 Activities)

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K562 (73714 Activities)

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A549 (127892 Activities)

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Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Escherichia coli (133304 Activities)

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Pichia kudriavzevii (7448 Activities)

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Candida albicans (78123 Activities)

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Nakaseomyces glabratus (9108 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 229.230 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 229.085 Da
• Monoisotopic Mass: 229.085 Da
• Topological Polar Surface Area: 67.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 260.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1