Products 465-21-4

CAS 465-21-4 appears in our catalog under these names: Bufalin, >95% (HPLC), Bufalin, Bufalin/ 99.08% (existing batch purity), Bufalin, 98.00%, Bufalin 1PC X 10MG. Offered by: TRC, GLPBio, TargetMol, Chemat, Biosynth. Available pack sizes: 10mg, 50mg, 5mg, 1g, 20mg, 500mg, 25mg, 100mg.

Bufalin, >95% (HPLC)
TRC
  • size: 10mg, 50mg, 5mg
  • Variants: 3
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Bufalin
GLPBio, Biosynth, Sigma-Aldrich
  • size: 10mg, 1g, 20mg, 500mg
  • Variants: 10
from 737.45
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Bufalin/ 99.08% (existing batch purity)
TargetMol
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 4
from 545.46
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Bufalin, 98.00%
Chemat
  • size: 10mg, 50mg
  • Variants: 2
from 646.83
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Bufalin 1PC X 10MG
Sigma-Aldrich
  • size: 10MG
  • Variants: 1
from 947.00
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Bufalin (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Bufalin, 99.86%
MedChemExpress
  • size: 10mM/1mL, 50 mg, 10 mg, 5 mg
  • Variants: 6
from 407.93
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Bufalin, min. 95 %, 25 mg
Roth
  • size: 25mg
  • Variants: 1
from 1505.56
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Bufalin, min. 95 %, 50 mg
Roth
  • size: 50mg
  • Variants: 1
from 2638.26
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Bufalin, min. 95 %, 100 mg
Roth
  • size: 100mg
  • Variants: 1
from 4384.51
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Bufalin, 98%
Fluorochem, Ambeed
  • size: 100mg, 250mg
  • Variants: 3
from 2428.50
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Structural formula: {0} (CAS {1})

Bufalin is a 14beta-hydroxy steroid that is bufan-20,22-dienolide having hydroxy substituents at the 5beta- and 14beta-positions. It has been isolated from the skin of the toad Bufo bufo. It has a role as an antineoplastic agent, a cardiotonic drug, an anti-inflammatory agent and an animal metabolite. It is a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It is functionally related to a bufanolide.

Source: ChEBI

Identity
Molecular formulaC24H34O4
Molecular weight386.5 g/mol
IUPAC name5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
InChIKeyQEEBRPGZBVVINN-BMPKRDENSA-N
SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O

Computed by PubChem (NCBI)

Synonyms: bufalin, 3,14-Dihydroxy-bufa-20,22-dienolide, 3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide, 3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide, 5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy-, 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14-DIHYDROXY-, Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)-, Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)-, (3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide, (3beta,5beta,10alpha,17alpha)-3,14-dihydroxybufa-20,22-dienolide
Related forms of this compound
5-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one C24H34O4
Isomers (same molecular formula)
[(2E,4E,6E,8E)-9-(4-acetyloxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenyl] acetate C24H34O4
6-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]hexan-1-ol C24H34O4
2-methyl-5,6-bis(trideuteriomethoxy)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione C24H34O4
[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate C24H34O4
(1R,2S,4R,8S,9S,12S,13R)-8-acetyl-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one C24H34O4
2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione C24H34O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-3-methoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate C24H34O4
(1R,2R,4R,5R,7S,10R,11S,14S,15S,16S,18S,19S)-15-(3-hydroxyprop-1-ynyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-5,7,15-triol C24H34O4
[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C24H34O4
(1R,2R,4R,5R,10R,11S,14S,15S,16S,18S,19S)-5,5'-dihydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,2'-oxolane]-7-one C24H34O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C24H34O4