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

CAS: 4335-12-0 Cat. No.: T648055 분자식: C₁₆H₁₈O₄ 분자량: 274.31 PubChem CID: 5321960

등급 & 순도 Moligand™, ≥98%

Synonyms

starbld0003785|5,7-Dimethoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one|5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one|Toddaculine|2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-|6-(3-Methyl-2-butenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one|Toddaculin

Storage

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

Shipped In

Wet ice

개요

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.

사양

동의어

starbld0003785 | 5,7-Dimethoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one | 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one | Toddaculine | 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)- | 6-(3-Methyl-2-butenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one | Toddaculin

사양 및 순도

Moligand™,≥98%

생화학 및 생리적 메커니즘

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

보관 조건

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

배송

Wet ice

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등급

Moligand™

순수함

≥98%

이름과 식별자

정식 스마일

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

이성체 SMILES

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

대체 CAS

4335-12-0

PubChem CID

5321960

MeSH 용어

toddaculin

분자량

274.31

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 50 mg/mL (182.28 mM; Need ultrasonic)
• 감도: light sensitive;Moisture sensitive
• 분자량: 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

자주 묻는 질문

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.