(1S,4R,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

Base Information

• Chemical Name: (1S,4R,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
• CAS No.: 20554-84-1
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.322
• Hs Code.: 29322090
• Wikipedia: Parthenolide
• Mol file: 20554-84-1.mol

Synonyms:parthenolide;Spectrum2_001220;Spectrum3_001064;Spectrum4_001230;KBioGR_001700;DivK1c_000509;SPBio_001040;KBio1_000509;KBio3_001868;NINDS_000509;QTL1_000064

Chemical Property of (1S,4R,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

Chemical Property:

• Appearance/Colour: White to pale yellow crystalline powder
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 115-116 °C(lit.)
• Refractive Index: 1.533
• Boiling Point: 394.1 °C at 760 mmHg
• Flash Point: 166.3 °C
• PSA: 38.83000
• Density: 1.13 g/cm³
• LogP: 2.76200
• Storage Temp.: 2-8°C
• Solubility.: Soluble in DMSO (up to 100 mg/ml) or in Ethanol (up to 20 mg/ml)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 437

Purity/Quality:

95%-98% ^*data from raw suppliers

Parthenolide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C, F
• Hazard Codes: Xi,C,F
• Statements: 11-34
• Safety Statements: 22-24/25-45-36/37/39-26-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
• Isomeric SMILES: CC1=CCC[C@@]2(C(O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
• Description: Parthenolide is an allergen in feverfew (Tanacetum parthenarium).
• Uses: Antiinflammatory;MAP kinase inhibitor Parthenolide is a sesquiterpene lactone from the plant feverfew (T. parthenium). It inhibits the growth of the promastigote form of L. amazonensis (IC50 = 3.6 μg/ml). Parthenolide also induces apoptosis in cancer cells, at least in part by inhibiting NF-κB- and STAT-mediated anti-apoptotic gene transcription. This compound has also been shown to block inflammation by inhibiting signaling through NF-κB. Inhibition of NF-κB by parthenolide can be achieved by direct binding of the pattern recognition receptor NOD2 by parthenolide. Parthenolide is an anti-inflammatory agent used in the treatment of ischemic injury. Also acts as an anti-tumor and anti0leukemia agent targetting acute myeloid leukemia.