Inulicin - Moligand™,≥99% , CAS No.33627-41-7

CAS: 33627-41-7 Cat. No.: I649304 Fórmula: C₁₇H₂₄O₅ Peso molecular: 308.37 Número CE: 112-420-2 PubChem CID: 75528891

GRADE & PURITY Moligand™, ≥99%

Synonyms

1-O-Acetyl britannilactone | 2H-Cyclohepta(b)furan-2-one, 3,3a,4,5,8,8a-hexahydro-4-hydroxy-6-(3-hydroxypropyl)-5,7-dimethyl-3-methylene-, 6-acetate, (+)- | MS-24472 | Inulicin | 1-O-Acetylbritannilactone1-O-Acetylbritannilactone | NCGC00385881-01 | 1-O-A

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

1-O-Acetyl britannilactone | 2H-Cyclohepta(b)furan-2-one, 3,3a,4,5,8,8a-hexahydro-4-hydroxy-6-(3-hydroxypropyl)-5,7-dimethyl-3-methylene-, 6-acetate, (+)- | MS-24472 | Inulicin | 1-O-Acetylbritannilactone1-O-Acetylbritannilactone | NCGC00385881-01 | 1-O-A

Especificações e pureza

Moligand™,≥99%

Mecanismos bioquímicos e fisiológicos

Inulicin (1-O-Acetylbritannilactone) is an active compound that inhibits VEGF-mediated activation of Src and FAK . Inulicin (1-O-Acetylbritannilactone) inhibits LPS-induced PGE 2 production and COX-2 expression, and NF-κB activation and translocation.

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

CC1=C(C(C2C(C1)OC(=O)C2=C)O)C(C)CCCOC(=O)C

IUPAC Name

[(4S)-4-[(3aS,4S,7aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl] acetate

InChIKey

QKUFZFLZBUSEHN-CZLJMHDISA-N

INCHI

1S/C17H24O5/c1-9(6-5-7-21-12(4)18)14-10(2)8-13-15(16(14)19)11(3)17(20)22-13/h9,13,15-16,19H,3,5-8H2,1-2,4H3/t9-,13+,15+,16+/m0/s1

SMILES isoméricas

CC1=C([C@H]([C@H]2[C@@H](C1)OC(=O)C2=C)O)[C@@H](C)CCCOC(=O)C

PubChem CID

75528891

Peso molecular

308.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene lactones
• Alternative Parents: Sesquiterpenoids Benzofurans Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Enoate esters Secondary alcohols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Terpene lactone - Sesquiterpenoid - Benzofuran - Dicarboxylic acid or derivatives - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Carboxylic acid ester - Lactone - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
• 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

Alvos associados (humanos)

HCT-116 (91556 Activities)

Explore this target

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

Alvos associados (não humanos)

BV-2 (3710 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (324.29 mM; Need ultrasonic) Ethanol : 50 mg/mL (162.14 mM; Need ultrasonic)
• Sensibilidade: Light sensitive
• Ponto de inflamação (°F): Not applicable
• Ponto de inflamação (°C): Not applicable
• Peso molecular: 308.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 308.162 Da
• Monoisotopic Mass: 308.162 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 519.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

Perguntas frequentes

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. The material is light-sensitive — keep it in its original opaque or amber container.

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 33627-41-7, the molecular formula is C17H24O5, and the molecular weight is 308.37 g/mol. InChIKey QKUFZFLZBUSEHN-CZLJMHDISA-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.