Bufalin , 98%(HPLC) , 465-21-4

Synonym(s):
3β,14-Dihydroxy-5β,20(22)-bufadienolide;5β, 20(22)-Bufadienolide-3β, 14-diol;5β,20(22)-Bufadienolide-3β,14-diol;Bufalin - CAS 465-21-4 - Calbiochem

CAS NO.：465-21-4

Empirical Formula: C24H34O4

Molecular Weight: 386.52

MDL number: MFCD30207876

PRODUCT Properties

• Melting point: 242-243°
• alpha: D -20°
• Boiling point: 556.6±50.0 °C(Predicted)
• Density: 1.226±0.06 g/cm3(Predicted)
• storage temp.: 2-8°C
• solubility: DMSO:36.0(Max Conc. mg/mL);93.14(Max Conc. mM); DMF:25.0(Max Conc. mg/mL);64.68(Max Conc. mM); Ethanol:27.5(Max Conc. mg/mL);71.15(Max Conc. mM); Ethanol:PBS (pH 7.2) (1:2):0.3(Max Conc. mg/mL);0.78(Max Conc. mM)
• form: White to off-white solid
• pka: 15.01±0.70(Predicted)
• color: White to off-white
• Major Application: food and beverages
• InChIKey: QEEBRPGZBVVINN-ONGIWDLKSA-N
• SMILES: O[C@]12CC[C@H](C3=COC(C=C3)=O)[C@]1(CC[C@]1([H])[C@]3(CC[C@@H](C[C@@]3([H])CC[C@@]21[H])O)C)C

Description and Uses

Bufalin has been used:

• to test its effect on invasion and activation of nuclear factor kappa- B (NF-κB) cells and tumor necrosis factor-α (TNF-α) stimulated rheumatoid arthritis fibroblast-like synoviocytes (RAFLSs)
• as a nuclear receptor coactivator 3 (NCOA3) inhibitor in chondrocytes
• to test its anti-metastasis effect in lung cancer cells (NCI-H460) resistant to gefitinib

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H300
• Precautionary statements: P301+P310+P330
• Hazard Codes: T+
• Risk Statements: 28
• Safety Statements: 28-36/37-45
• RIDADR: UN 3462 6.1/PG 2
• WGK Germany: 3
• RTECS: EI2962500
• HazardClass: 6.1(a)
• PackingGroup: II
• HS Code: 29322090
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2; very toxic hazardous materials
• Hazard Classifications: Acute Tox. 2 Oral
• Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
• Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)