Arnicolide D - ≥99% , CAS No.34532-68-8

CAS: 34532-68-8 Cat. No.: A648414 Fórmula: C₁₉H₂₄O₅ Peso molecular: 332.39 PubChem CID: 182199

GRADE & PURITY ≥99%

Synonyms

Arnicolide D | ArnicolideD | (3aR)-4,4a,7aalpha,8,9,9aalpha-Hexahydro-4alpha-(methacryloyloxy)-3beta,4abeta,8alpha-trimethylazuleno[6,5-b]furan-2,5(3H,3aalphaH)-dione | 2-Propenoic acid, 2-methyl-, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8- trimethyl-2

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima . Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner

Form:Solid

IC50& Target:Caspase PI3K mTOR STAT3

Specifications

Sinónimos

Arnicolide D | ArnicolideD | (3aR)-4,4a,7aalpha,8,9,9aalpha-Hexahydro-4alpha-(methacryloyloxy)-3beta,4abeta,8alpha-trimethylazuleno[6,5-b]furan-2,5(3H,3aalphaH)-dione | 2-Propenoic acid, 2-methyl-, 2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8- trimethyl-2

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima . Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carci

Condições de armazenamento de armazenamento

Protected from light,Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Tipo de ação

ACTIVATOR

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: CC1CC2C(C(C(=O)O2)C)C(C3(C1C=CC3=O)C)OC(=O)C(=C)C
• IUPAC Name: [(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 2-methylprop-2-enoate
• InChIKey: NZESEVTYUVXOTC-APDQSUQKSA-N
• INCHI: 1S/C19H24O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,10-13,15-16H,1,8H2,2-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1
• SMILES isoméricas: C[C@@H]1C[C@@H]2[C@@H]([C@@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C(=C)C
• CAS alternativo: 34532-68-8
• PubChem CID: 182199
• Termos de entrada MeSH: arnicolide D
• Peso molecular: 332.39

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: Sesquiterpene lactones
• Alternative Parents: Ambrosanolides and secoambrosanolides Pseudoguaianes Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Enoate esters Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Helenalin-skeleton - Ambrosanolide - Pseudoguaiane sesquiterpenoid - Sesquiterpenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Enoate ester - Tetrahydrofuran - Alpha,beta-unsaturated carboxylic ester - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as sesquiterpene lactones. These are sesquiterpenoids 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)

RELA Tchem Nuclear factor NF-kappa-B p65 subunit (627 Activities)

Discover Target: RELA

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 25 mg/mL (75.21 mM; Need ultrasonic)
• Peso molecular: 332.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 332.162 Da
• Monoisotopic Mass: 332.162 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 648.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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