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

CAS: 21802-37-9 Cat. No.: C475412 Molecular Weight: 229.23 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%(HPLC), from Streptomyces caeruleus

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: 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+
• Isomeric SMILES: COC1=CC(=NC(=C1)C2=CC=CC=N2)/C=N/O
• Molecular Weight: 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
    • Class Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

HL-60 (67320 Activities)

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K562 (73714 Activities)

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A549 (127892 Activities)

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Associated Targets(non-human)

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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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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