ChemicalBook--->CAS DataBase List--->471-95-4

471-95-4

471-95-4 Structure

471-95-4 Structure
IdentificationBack Directory
[Name]

Bufotaline
[CAS]

471-95-4
[Synonyms]

BUFOTALIN
Bufotaline
BUFOTALIN(SH)
Bufotalin std.
Bufotaline ,98%
GAMMA-BUFOTALIN
BUFOTALIN SULFATE
Bufotalin Standard
Bufotaline cas no. 471-95-4
16-(Acetyloxy)-3,14-dihydroxybufa-20,22-dienolide
16β-Acetoxy-3β,14-dihydroxy-5β-bufa-20,22-dienolide
3b,14,16b-Trihydroxy-5b-bufa-20,22-dienolide 16-acetate
16β-Acetyloxy-3β,14-dihydroxy-5β,14β-bufa-20,22-dienolide
3-BETA-14,16-BETA-TRIHYDROXY-5BETA-BUFA-20,22-DIENOLIDE SULFATE
22-dienolide,3-beta,14,16-beta-trihydroxy-5-beta-bufa-216-acetate
20,21,22,23-Tetradehydro-5β-bufanolide-3β,14β,16β-triol 16-acetate
Bufa-20,22-dienolide, 16-(acetyloxy)-3,14-dihydroxy-, (3β,5β,16β)-
5beta-Bufa-20,22-dienolide, 3beta,14,16beta-trihydroxy-, 16-acetate
Bufa-20,22-dienolide, 16-(acetyloxy)-3,14-dihydroxy-, (3beta,5beta,16beta)-
[Molecular Formula]

C26H36O6
[MDL Number]

MFCD00210248
[MOL File]

471-95-4.mol
[Molecular Weight]

444.56
Chemical PropertiesBack Directory
[Appearance]

Crystalline genin.
[Melting point ]

223°C (rough estimate)
[alpha ]

D20 +5.4° (c = 0.5 in chloroform)
[Boiling point ]

474.53°C (rough estimate)
[density ]

1.0942 (rough estimate)
[refractive index ]

1.4593 (estimate)
[storage temp. ]

Store at -20°C
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml
[form ]

White to off-white solid.
[pka]

14.44±0.70(Predicted)
[color ]

White to off-white
[CAS DataBase Reference]

471-95-4
[NIST Chemistry Reference]

Bufotalin(471-95-4)
Hazard InformationBack Directory
[Chemical Properties]

Crystalline genin.
[Hazard]

Deadly poison.
[Uses]

Bufotalin is a component of Bufo bufo gargarizans which acts as an anti-tumor agent.
[Definition]

ChEBI:Bufotalin is a steroid lactone. It is functionally related to a bufanolide.
[in vivo]

Bufotalin (0.5-1 mg/kg; intraperitoneal injection; twice daily; for 7 days) treatment shows a significantly reduced tumor growth in mice[1].

Animal Model:SCID male mice (4-6 weeks old) injected with U2OS cells[1]
Dosage:0.5 mg/kg, 1 mg/kg
Administration:Intraperitoneal injection; twice daily; for 7 days
Result:Inhibited U2OS osteoblastoma cell growth in mice.
[storage]

Store at -20°C
Safety DataBack Directory
[RIDADR ]

3172
[HazardClass ]

6.1(a)
[PackingGroup ]

II
[HS Code ]

29329990
Spectrum DetailBack Directory
[Spectrum Detail]

Bufotaline(471-95-4)1HNMR
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