Toddaculin - Moligand™,≥98% , CAS No.4335-12-0

CAS: 4335-12-0 Cat. No.: T648055 Fórmula: C₁₆H₁₈O₄ Peso molecular: 274.31 PubChem CID: 5321960

CALIDAD & PUREZA Moligand™, ≥98%

Synonyms

starbld0003785 | 5,7-Dimethoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one | SCHEMBL15941538 | E80586 | 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one | AKOS040763013 | HY-N9359 | Toddaculine | MS-23895 | 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Descripción general

Toddaculin is a natural coumarin that can induce differentiation and apoptosis in leukemic cells. Toddaculin suppresses excess osteoclast activity and enhances osteoblast differentiation and mineralization. Toddaculin also exhibits anti-inflammatory activity.

Especificaciones

Sinónimos

starbld0003785 | 5,7-Dimethoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one | SCHEMBL15941538 | E80586 | 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one | AKOS040763013 | HY-N9359 | Toddaculine | MS-23895 | 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl

Especificaciones y pureza

Moligand™,≥98%

Mecanismos bioquímicos y fisiológicos

Toddaculin is a natural coumarin that can induce differentiation and apoptosis in leukemic cells. Toddaculin suppresses excess osteoclast activity and enhances osteoblast differentiation and mineralization. Toddaculin also exhibits anti-inflammatory activ

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Desiccated

Enviado en

Wet ice

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

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C

IUPAC Name

5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one

InChIKey

KRQHZFHWEAJPNO-UHFFFAOYSA-N

INCHI

1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3

Isómeros SMILES

CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C

CAS alternativo

4335-12-0

PubChem CID

5321960

Términos de entrada MeSH

toddaculin

Peso molecular

274.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 50 mg/mL (182.28 mM; Need ultrasonic)
• Sensibilidad: light sensitive;Moisture sensitive
• Peso molecular: 274.310 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 274.121 Da
• Monoisotopic Mass: 274.121 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 409.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% 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, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 4335-12-0, the molecular formula is C16H18O4, and the molecular weight is 274.31 g/mol. InChIKey KRQHZFHWEAJPNO-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.