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

CAS: 33627-41-7 Cat. No.: I649304 Peso molecular: 308.37 Número EC: 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

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y 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.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: 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
    • Clase Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

HCT-116 (91556 Activities)

Explore this target

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

Objetivos asociados (no humanos)

BV-2 (3710 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (324.29 mM; Need ultrasonic) Ethanol : 50 mg/mL (162.14 mM; Need ultrasonic)
• Sensibilidad: Light sensitive
• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°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