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Bufotalin

CAT: 0013-GTR19168943-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168943-01Size:1 mg
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Description
Bufotalin is a cardiotoxic steroid compound isolated from toad venom. It is utilized in pharmacological research for studying its effects on Na+/K+-ATPase activity and has been investigated in both in vitro and in vivo models for its potential cytotoxic and anticancer properties.
CAS Number
471-95-4
Product Name Alternative
PERK, ReactiveOxygenSpecies, Reactive Oxygen Species, reticulum, Apoptosis, antitumor, Bufotalin, Bufotaline, caspase-12, CHOP, inhibit, IRE1, endoplasmic, Inhibitor
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
99.45% (May vary between batches)
Solubility
DMSO:250 mg/mL (562.35 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.5 mM)
Smiles
CC (=O) O[C@H]1C[C@]2 (O) [C@@H]3CC[C@@H]4C[C@@H] (O) CC[C@]4 (C) [C@H]3CC[C@]2 (C) [C@H]1c1ccc (=O) oc1
Molecular Formula
C26H36O6
Molecular Weight
444.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bufotalin

Bufotalin is a steroid lactone. It is functionally related to a bufanolide.

CAS Number471-95-4
PubChem CID12302120
IUPAC Name[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Molecular FormulaC26H36O6
Molecular Weight444.6
XLogP2.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity878
SMILES
CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C)O)O
InChI
InChI=1S/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19+,20-,21+,23+,24+,25-,26+/m1/s1
InChIKey
VOZHMAYHYHEWBW-NVOOAVKYSA-N
Chemical Structure
2D Structure
2D structure of Bufotalin
CAS: 471-95-4
CID: 12302120
Formula: C26H36O6
MW: 444.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass444.25118886
Monoisotopic Mass444.25118886
Topological Polar Surface Area93.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity878
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
ALX-350-282-M005Bufotalin
FB42755γ-Bufotalin
HY-N0878RBufotalin (Standard)
A12024-50Bufotalin 50mg
A12024-5Bufotalin 5mg
A12024-1Bufotalin 1mg
A12024-100Bufotalin 100mg
A12024-10Bufotalin 10mg
A12024-500Bufotalin 500mg
A12024-25Bufotalin 25mg

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