Tìm theo
Theobromine
Các tên gọi khác (5 ) :
  • 3,7-dihydro-3,7-Dimethyl-1H-purine-2,6-dione
  • 3,7-Dimethylpurine-2,6-dione
  • 3,7-Dimethylxanthine
  • Theobromin
  • Theobromine
Thuốc Gốc
Small Molecule
CAS: 83-67-0
ATC: C03BD01, R03DA07
CTHH: C7H8N4O2
PTK: 180.164
3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than theophylline and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9)
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C7H8N4O2
Phân tử khối
180.164
Monoisotopic mass
180.06472552
InChI
InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
InChI Key
InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
IUPAC Name
3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Traditional IUPAC Name
theobromine
SMILES
CN1C=NC2=C1C(=O)NC(=O)N2C
Độ tan chảy
357 °C
Độ hòa tan
330 mg/L (at 25 °C)
logP
-0.78
logS
-1.3
pKa (strongest acidic)
9.28
pKa (Strongest Basic)
-0.91
PSA
67.23 Å2
Refractivity
44.93 m3·mol-1
Polarizability
16.85 Å3
Rotatable Bond Count
0
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Rule of Five
true
pKa
9.9
Dược Lực Học : Theobromine, a xanthine derivative like caffeine and the bronchodilator theophylline, is used as a CNS stimulant, mild diuretic, and respiratory stimulant (in neonates with apnea of prematurity).
Cơ Chế Tác Dụng : 3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than theophylline and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9) Theobromine stimulates medullary, vagal, vasomotor, and respiratory centers, promoting bradycardia, vasoconstriction, and increased respiratory rate. This action was previously believed to be due primarily to increased intracellular cyclic 3′,5′-adenosine monophosphate (cyclic AMP) following inhibition of phosphodiesterase, the enzyme that degrades cyclic AMP. It is now thought that xanthines such as caffeine and theobromine act as antagonist at adenosine-receptors within the plasma membrane of virtually every cell. As adenosine acts as an autocoid, inhibiting the release of neurotransmitters from presynaptic sites but augmenting the actions of norepinephrine or angiotensin, antagonism of adenosine receptors promotes neurotransmitter release. This explains the stimulatory effects of xanthine derivatives such as theobromine and caffeine. Blockade of the adenosine A1 receptor in the heart leads to the accelerated, pronounced "pounding" of the heart upon caffeine intake.
Chỉ Định : theobromine is used as a vasodilator, a diuretic, and heart stimulant. And similar to caffeine, it may be useful in management of fatigue and orthostatic hypotension.
Liều Lượng & Cách Dùng : Solution / drops - Oral
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01412
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5429
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508574
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C07480
ChemSpider
http://www.chemspider.com/Chemical-Structure.5236.html
PharmGKB
http://www.pharmgkb.org/drug/PA451646
Wikipedia
http://en.wikipedia.org/wiki/Theobromine
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