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

CAS: 4335-12-0 Cat. No.: T648055 分子式: C₁₆H₁₈O₄ 分子量: 274.31 PubChem CID: 5321960

GRADE & PURITY 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

概要

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.

Specifications

同義語

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

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

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

保管条件

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

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C
• 代替CAS番号: 4335-12-0
• PubChem CID: 5321960
• MeSH用語: toddaculin
• 分子量: 274.31

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 50 mg/mL (182.28 mM; Need ultrasonic)
• 感度: light sensitive;Moisture sensitive
• 分子量: 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

よくある質問

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.