Armillarisin A - Moligand™,≥99% , CAS No.53696-74-5

CAS: 53696-74-5 Cat. No.: A649009 Summenformel: C₁₂H₁₀O₅ Molekulargewicht: 234.20 PubChem CID: 5320192

GRADE & PURITY Moligand™, ≥99%

Synonyms

HY-108013 | 3-acetyl-7-hydroxy-5-(hydroxymethyl)chromen-2-one | ARMILLARISIN A [WHO-DD] | 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-1-benzopyran-2-one | AC-8248 | DTXSID40201953 | UNII-M5864MH5CT | Armillarisin A | BCP13473 | 3-ethanoyl-5-(hydroxymethyl)-7-

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Übersicht

Armillarisin A has the potential for the ulcerative colitis (UC) study. Armillarisin A increases IL-4 and lower IL-1β

Form:Solid

IC50& Target:IL-4 IL-1β

Specifications

Synonyme

HY-108013 | 3-acetyl-7-hydroxy-5-(hydroxymethyl)chromen-2-one | ARMILLARISIN A [WHO-DD] | 3-Acetyl-7-hydroxy-5-(hydroxymethyl)-2H-1-benzopyran-2-one | AC-8248 | DTXSID40201953 | UNII-M5864MH5CT | Armillarisin A | BCP13473 | 3-ethanoyl-5-(hydroxymethyl)-7-

Spezifikationen & Reinheit

Moligand™,≥99%

Biochemische und physiologische Mechanismen

Armillarisin A has the potential for the ulcerative colitis (UC) study. Armillarisin A increases IL-4 and lower IL-1β.

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Note

Moligand™

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

CC(=O)C1=CC2=C(C=C(C=C2OC1=O)O)CO

IUPAC Name

3-acetyl-7-hydroxy-5-(hydroxymethyl)chromen-2-one

InChIKey

XVZWWNMZVZWQKU-UHFFFAOYSA-N

INCHI

1S/C12H10O5/c1-6(14)9-4-10-7(5-13)2-8(15)3-11(10)17-12(9)16/h2-4,13,15H,5H2,1H3

Isomere SMILES

CC(=O)C1=CC2=C(C=C(C=C2OC1=O)O)CO

Alternative CAS-Nummer

53696-74-5

PubChem CID

5320192

MeSH-Eintrag

armillarisin A;armillarisin B

Molekulargewicht

234.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxycoumarins
• Alternative Parents: 1-benzopyrans Aryl alkyl ketones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-hydroxycoumarin - Benzopyran - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Aromatic alcohol - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (426.99 mM; Need ultrasonic)
• Empfindlichkeit: light sensitive
• Molekulargewicht: 234.200 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 234.053 Da
• Monoisotopic Mass: 234.053 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 373.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 53696-74-5, the molecular formula is C12H10O5, and the molecular weight is 234.20 g/mol. InChIKey XVZWWNMZVZWQKU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.