基本情報
- CAS
38677-81-5- 標準SMILES
CC(C)(C)NCC(O)c1ccc(O)c(CO)n1- InChIKey
VQDBNKDJNJQRDG-UHFFFAOYSA-N- 分子式
- C12H20N2O3
- 平均分子量
- 240.3 g/mol
- 単同位体質量
- 240.1473925
概要
Pirbuterol is a member of pyridines.
名称と識別子
- 優先名称
- Pirbuterol
- IUPAC
- 6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
- 現地名
- ピルブテロール
- 英語名
- Pirbuterol
- 分子式
- C12H20N2O3
- 分子量
- 240.3
名称と別名
PIRBUTEROL38677-81-5Pirbuterolum6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-olOG645J8RVWARA-211Ethanol, 2-tert-butylamino-1-(5-hydroxy-6-hydroxymethyl-2-pyridyl)-pyrbuterolDTXSID0046937pirbuteroloCP-24315-16-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)pyridin-3-ol
名称をさらに表示
ピルブテロールα'-[(tert-ブチルアミノ)メチル]-3-ヒドロキシ-2,6-ピリジンジメタノール6-[2-[(1,1-ジメチルエチル)アミノ]-1-ヒドロキシエチル]-3-ヒドロキシ-2-ピリジンメタノール3-ヒドロキシ-α'-[(tert-ブチルアミノ)メチル]-2,6-ピリジンジメタノール6-[2-(tert-ブチルアミノ)-1-ヒドロキシエチル]-3-ヒドロキシ-2-ピリジンメタノール2-tert-ブチルアミノ-1-(5-ヒドロキシ-6-ヒドロキシメチル-2-ピリジル)エタノール6-[2-(1,1-ジメチルエチル)アミノ-1-ヒドロキシエチル]-3-ヒドロキシピリジン-2-メタノール6-[2-(tert-ブチルアミノ)-1-ヒドロキシエチル]-2-(ヒドロキシメチル)ピリジン-3-オール3-ヒドロキシ-α′-[(tert-ブチルアミノ)メチル]-2,6-ピリジンジメタノールα′-[(tert-ブチルアミノ)メチル]-3-ヒドロキシ-2,6-ピリジンジメタノール314-14Pirbuterol USP/EP/BP2-tert-Butylamino-1-(5-hydroxy-6-hydroxymethyl-2-pyridyl)ethanol6-[2-(tert-Butylamino)-1-hydroxyethyl]-3-hydroxy-2-pyridinemethanol
物性
構造計算による物性
- XLogP
- -0.1
- 極性表面積
- 85.6 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 5
- 回転可能結合数
- 5
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 230
実験および物理化学的性質
Solubility6.22e+00 g/L
Human Drugs
Breast Feeding; Lactation; Milk, Human; Anti-Asthmatic Agents; Bronchodilator Agents; Beta Adrenergic Agonists
Pharmaceuticals
Physical DescriptionSolid
物理化学的性質
- 沸点
- 489.3 · 489.3±40.0 °C(Predicted)
- 比重(密度)
- 1.196 · 1.196±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 8.01 · pKa 8.01/10.64(H2O,t =25±0.05,I=0.010) (Uncertain)
- CAS データベース
- 38677 · 38677-81-5
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
化学と産業
薬理情報
ATC Code
R - Respiratory system
R - Respiratory system
QR - Respiratory system
QR - Respiratory system
Pharmacodynamics
Pirbuterol is a beta-2 adrenergic bronchodilator. In vitro studies and in vivo pharmacologic studies have demonstrated that pirbuterol has a preferential effect on beta-2 adrenergic receptors compared with isoproterenol. While it is recognized that beta-2 adrenergic receptors are the predominant receptors in bronchial smooth muscle, data indicate that there is a population of beta-2 receptors in the human heart, existing in a concentration between 10-50%. The precise function of these receptors has not been established.
Mechanism of Action
The pharmacologic effects of beta adrenergic agonist drugs, including pirbuterol, are at least in proof attributable to stimulation through beta adrenergic receptors of intracellular adenyl cyclase, the enzyme which catalyzes the conversion of adenosine triphosphate (AlP) to cyclic-3† ,5†-adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.
Biological Half-Life2 hours.
FDA Pharmacological Classification
OG645J8RVW
PIRBUTEROL
Mechanisms of Action [MoA] - Adrenergic beta2-Agonists
Established Pharmacologic Class [EPC] - beta2-Adrenergic Agonist
Pirbuterol is a beta2-Adrenergic Agonist. The mechanism of action of pirbuterol is as an Adrenergic beta2-Agonist.
MeSH Pharmacological Classification
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
関連反応
3 件
化合物ノート
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