Digitoxin
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Digitoxin
structure -
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CAS No:
71-63-6
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Formula:
C41H64O13
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Chemical Name:
Digitoxin
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Synonyms:
Card-20(22)-enolide,3-[(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxy-,(3β,5β)-;Digitoxin;Digitoxoside;(3β,5β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide;Crystalline digitalin;Crystodigin;Digimerck;Digisidin;Digitoxigenin tridigitoxoside;Glucodigin;Cardigin;Purodigin;Purpurid;Unidigin;Digitophyllin;Carditoxin;Digitrin;Digimed;Digicor;Tradigal;Myodigin;Cristapurat;Digipural;Digitaline Nativelle;Ditaven;Lanatoxin;Digilong;Coramedan;Cardidigin;NSC 7529;1339-93-1;1367-39-1;1391-34-0;82476-56-0
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CAS No:
Description
Digitoxin is an effective Na+/K+-ATPase inhibitor, the EC50 value of Digitoxin is 0.78 μM.IC50 value: 0.78 μM (EC50)Target: Na+/K+-ATPasein vitro: Digitoxin shows a significantly cytotoxic effect in H1975 cells by causing G2 phase arrest, also remarkably activates 5' adenosine monophosphate-activated protein kinase (AMPK). Moreover, Digitoxin suppresses microtubule formation through decreasing α-tubulin. Digitoxin effectively depresses the growth of TKI-resistance NSCLC H1975 cells by in
Characteristics
183
1.85
powder
1.3±0.1 g/cm3
256-257 °C
902.3±65.0 °C at 760 mmHg
9℃
17 ° (C=2, CHCl3)
chloroform: soluble
Dark Room
1.09X10-27 mm Hg at 25 °C (est)
Oral-Rat LD50 23.75 mg/kg; Oral-Mouse LD50: 4.95 mg/kg
Flammable, spicy and irritating smoke emitted from the fire
D20 +4.8° (c = 1.2 in dioxane)
Odorless
Bitter
Safety Information
II
6.1(a)
UN 2811 6.1/PG 1
3
23/25-33-39/23/24/25-23/24/25-11
45-36/37-16
IH2275000
T,F
Treasury is low temperature, ventilated, dry; stored separately from food raw materials
Stable under recommended storage conditions.
P210-P260-P280-P301 + P310-P311
H225-H301 + H311 + H331-H370
Computed Properties
Molecular Weight:764.9
XLogP3:2.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:764.43469209
Monoisotopic Mass:764.43469209
Topological Polar Surface Area:183
Heavy Atom Count:54
Complexity:1410
Defined Atom Stereocenter Count:20
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
1. Positive inotropic effect: selectively binds to Na--K-ATPase on myocardial cell membrane, inhibits its activity, increases Ca2 concentration in myocardial cells, and thus enhances myocardial contractility; 2. Negative frequency effect: improves hemodynamic state, slows heart rate, delays atrioventricular conduction, and can directly inhibit the cardiac conduction system at high doses; 3. Cardiac electrophysiological effect: reduces sinoatrial node autonomy, increases Purkinje fiber autonomy, slows atrioventricular node conduction velocity, and may change arrhythmia characteristics.
Recommended Suppliers of Digitoxin
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CN
5 YRS
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CN
3 YRS
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