Rubrofusarin - ≥98% , CAS No.3567-00-8

CAS: 3567-00-8 Cat. No.: R274638 Molecular Weight: 272.25 EC Number: 110-439-0 PubChem CID: 72537

GRADE & PURITY ≥98%

Synonyms

Rubrofusarin | 4H-Naphtho[2, 5,6-dihydroxy-8-methoxy-2-methyl- | Amikazol | DTXSID90189171 | E89017 | 2-Aminobenzthiazole | 4H-Naphtho[2,3-b]pyran-4-one,5,6-dihydroxy-8-methoxy-2-methyl- | Q27108180 | 5,6-Dihydroxy-8-methoxy-2-methyl-4H-benzo[g]chromen-4-

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

Rubrofusarin | 4H-Naphtho[2, 5, 6-dihydroxy-8-methoxy-2-methyl- | Amikazol | DTXSID90189171 | E89017 | 2-Aminobenzthiazole | 4H-Naphtho[2, 3-b]pyran-4-one, 5, 6-dihydroxy-8-methoxy-2-methyl- | Q27108180 | 5, 6-Dihydroxy-8-methoxy-2-methyl-4H-benzo[g]chromen-4-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Moderate tyrosinase inhibitor (IC 50 = 65.6 μM). Shows antiestrogenic effects. Shows antimycobacterial effects in vivo.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)O)O
• IUPAC Name: 5,6-dihydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one
• InChIKey: FPNKCZKRICBAKG-UHFFFAOYSA-N
• INCHI: 1S/C15H12O5/c1-7-3-10(16)14-12(20-7)5-8-4-9(19-2)6-11(17)13(8)15(14)18/h3-6,17-18H,1-2H3
• Isomeric SMILES: CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)O)O
• PubChem CID: 72537
• Molecular Weight: 272.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Naphthopyrans
      • Subclass Naphthopyranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Naphthopyrans
• Subclass: Naphthopyranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthopyranones
• Alternative Parents: Naphthols and derivatives Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthopyranone - Chromone - 1-naphthol - Benzopyran - Naphthalene - 1-benzopyran - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthopyranones. These are compounds containing a naphthopyran skeleton where a ring carbon bears a carboxylic acid group. Naphthtopyran is made up of the pyran ring fused to a naphthalene ring system.
• External Descriptors: Naphthopyrones

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(non-human)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Molecular Weight: 272.250 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 272.068 Da
• Monoisotopic Mass: 272.068 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 432.000
• 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