基本情報
- CAS
6673-35-4- 標準SMILES
CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1- InChIKey
DURULFYMVIFBIR-UHFFFAOYSA-N- 分子式
- C14H22N2O3
- 平均分子量
- 266.34 g/mol
- 単同位体質量
- 266.16304257
概要
Practolol is N-(4-Hydroxyphenyl)acetamide in which the hydrogen of the phenolic hydroxy group is substituted by a 3-(isopropylaminoamino)-2-hydroxypropyl group. A selective beta blocker, it has been used in the emergency treatment of cardiac arrhythmias. It has a role as a beta-adrenergic antagonist and an anti-arrhythmia drug. It is a member of acetamides, a member of ethanolamines, a propanolamine, a secondary alcohol and a secondary amino compound.
名称と識別子
- 優先名称
- Practolol
- IUPAC
- N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
- 現地名
- プラクトロール
- 英語名
- Practolol
- 分子式
- C14H22N2O3
- 分子量
- 266.34
名称と別名
practolol6673-35-4DalzicEraldinPractololumICI 50172ICI-50172N-[4-[2-HYDROXY-3-[(1-METHYLETHYL)AMINO]PROPOXY]PHENYL]ACETAMIDEDTXSID00211791-(4-Acetamidophenoxy)-3-isopropylamino-2-propanolN-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide(+-)-Practolol
名称をさらに表示
エラルジン4'-[2-ヒドロキシ-3-(イソプロピルアミノ)プロピルオキシ]アセトアニリドテラノールN-[4-[2-ヒドロキシ-3-[(1-メチルエチル)アミノ]プロポキシ]フェニル]アセトアミドダルジックプラクトロール2-イソプロピルアミノ-1-[(4-アセチルアミノフェノキシ)メチル]エタノールプラクタロールRAC プラクトロール4′-[2-ヒドロキシ-3-(イソプロピルアミノ)プロピルオキシ]アセトアニリドN-(4-{2-ヒドロキシ-3-[(プロパン-2-イル)アミノ]プロポキシ}フェニル)アセトアミドay21011ici50172practalolZefamenibpraktololudl-Practololrac Practolol
4'-(2-Hydroxy-3-(isopropylamino)propoxy)acetanilideN-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamideAY-21011N-(4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamideSUG9176GRWAY-21,011I.C.I. 50,172Acetamide, N-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 70.6 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 7
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 263
実験および物理化学的性質
LogP
0.79
0.74
Solubility4.90e-01 g/L
Human DrugsPharmaceuticals
Melting Point
134-136 °C
134 - 136 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- 134 · 134-136° (BuOAc)
- 沸点
- 409.54 °C · 409.54°C (rough estimate)
- 比重(密度)
- 1.0807 · 1.0807 (rough estimate)
- 屈折率
- 1.511 · 1.5110 (estimate)
- 貯蔵温度
- Refrigerator
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 9.5 · pKa 9.5 (Uncertain)
- 色
- ホワイトからオフホワイト
化学的性質
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。
GHS分類
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P280, P301+P317, P302+P352, P318, P319, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Other Safety InformationIMAP assessments - Acetamide, N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (50%)
化学と産業
薬理情報
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Pharmacodynamics
Practolol is a beta-adrenergic receptor antagonist that has been used in the emergency treatment of cardiac arrhythmias. Beta blockers inhibit normal epinephrine-mediated sympathetic actions, but have minimal effect on resting subjects. That is, they reduce the effect of excitement/physical exertion on heart rate and force of contraction and dilation of blood vessels.
Mechanism of Action
Like other beta-adrenergic antagonists, practolol competes with adrenergic neurotransmitters such as catecholamines for binding at sympathetic receptor sites. Like propranolol and timolol, practolol binds at beta(1)-adrenergic receptors in the heart and vascular smooth muscle, inhibiting the effects of the catecholamines epinephrine and norepinephrine and decreasing heart rate, cardiac output, and systolic and diastolic blood pressure.
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Drugs that bind to and block the activation of ADRENERGIC BETA-1 RECEPTORS.
Cellular LocationsMembrane
Metabolite PathwaysPractolol Action Pathway
用途と製造
Use ClassificationPharmaceuticals
応用分野
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