Tìm theo
Acetyldigitoxin
Các tên gọi khác (12 ) :
  • Acetildigitoxina
  • Acetyl-digitoxin-alpha
  • Acetyldiginatin
  • Acetyldigitoxin
  • Acetyldigitoxinum
  • Acetylgitaloxin
  • Acetylgitoxin
  • alpha-Acetyldigitoxin
  • alpha-Acetylgitaloxin
  • alpha-Monoacetyldigitoxin
  • Desglucolanatoside A
  • Digitoxin 3'''-acetate
enzyme inhibitors, anti arrhythmia agents, cardiotonic agents
Thuốc Gốc
Small Molecule
CAS: 25395-32-8
ATC: C01AA01
CTHH: C43H66O14
PTK: 806.9757
Cardioactive derivative of lanatoside A or of digitoxin used for fast digitalization in congestive heart failure.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C43H66O14
Phân tử khối
806.9757
Monoisotopic mass
806.44525682
InChI
InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1
InChI Key
InChIKey=HPMZBILYSWLILX-UMDUKNJSSA-N
IUPAC Name
(2R,3R,4S,6S)-3-hydroxy-6-{[(2R,3S,4S,6S)-4-hydroxy-6-{[(2R,3S,4S,6R)-4-hydroxy-6-{[(1S,2S,5S,7R,10R,11S,14R,15R)-11-hydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-3-yl]oxy}-2-methyloxan-4-yl acetate
Traditional IUPAC Name
acetyldigitoxin
SMILES
[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1
Độ hòa tan
0.0274 mg/L at 25 °C
logP
3.7
logS
-4.8
pKa (strongest acidic)
7.18
pKa (Strongest Basic)
0.24
PSA
188.9 Å2
Refractivity
200.87 m3·mol-1
Polarizability
87.95 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
12
H Bond Donor Count
4
Physiological Charge
0
Number of Rings
8
Bioavailability
0
MDDR-Like Rule
true
Dược Lực Học : The main pharmacological effects of acetyldigitoxin are on the heart. Extracardiac effects are responsible for many of the adverse effects. Its main cardiac effects are 1) a decrease of conduction of electrical impulses through the AV node, making it a commonly used drug in controlling the heart rate during atrial fibrillation or atrial flutter, and 2) an increase of force of contraction via inhibition of the Na+/K+ ATPase pump.
Cơ Chế Tác Dụng : Cardioactive derivative of lanatoside A or of digitoxin used for fast digitalization in congestive heart failure. Acetyldigitoxin binds to a site on the extracellular aspect of the α-subunit of the Na+/K+ ATPase pump in the membranes of heart cells (myocytes). This causes an increase in the level of sodium ions in the myocytes, which then leads to a rise in the level of calcium ions. The proposed mechanism is the following: inhibition of the Na+/K+ pump leads to increased Na+ levels, which in turn slows down the extrusion of Ca2+ via the Na+/Ca2+ exchange pump. Increased amounts of Ca2+ are then stored in the sarcoplasmic reticulum and released by each action potential, which is unchanged by acetyldigitoxin. This is a different mechanism from that of catecholamines. Acetyldigitoxin also increases vagal activity via its central action on the central nervous system, thus decreasing the conduction of electrical impulses through the AV node. This is important for its clinical use in different arrhythmias.
Dược Động Học :
▧ Absorption :
Bioavailability is 60 to 80% following oral administration.
Độc Tính : Toxicity includes ventricular tachycardia or ventricular fibrillation, or progressive bradyarrhythmias, or heart block. LD50 = 7.8 mg/kg (orally in mice).
Chỉ Định : Used for fast digitalization in congestive heart failure.
Liều Lượng & Cách Dùng : Injection - Intravenous
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB00511
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D06881
PharmGKB
http://www.pharmgkb.org/drug/PA164746246
Wikipedia
http://en.wikipedia.org/wiki/Acetyldigitoxin
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