基本情報
- CAS
6014-30-8- 標準SMILES
CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1- InChIKey
SVEBYYWCXTVYCR-LBPRGKRZSA-N- 分子式
- C12H17NO4
- 平均分子量
- 239.27 g/mol
- 単同位体質量
- 239.11575802
概要
Alpha-methyl-L-dopa ethyl ester is the ethyl ester of alpha-methyl-L-dopa. It has a role as an alpha-adrenergic agonist and an antihypertensive agent. It is an ethyl ester and a member of amphetamines. It is functionally related to an alpha-methyl-L-dopa.
名称と識別子
- 優先名称
- Methyldopate
- IUPAC
- ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
- 英語名
- methyldopate
- 分子式
- C12H17NO4
- 分子量
- 239.27
名称と別名
METHYLDOPATE2579Z4P04J2544-09-4L-3-(3,4-Dihydroxyphenyl)-2-methylalanine ethyl esterRefChem:9257866014-30-8ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoatealpha-methyl-L-dopa ethyl esterCHEBI:94761ethyl 3-hydroxy-alpha-methyl-L-tyrosinateEthyl (S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoatealpha-Methyldopa ethyl ester
名称をさらに表示
methyldopa ethylSVEBYYWCXTVYCR-LBPRGKRZSA-NL-Tyrosine, 3-hydroxy-α-methyl-, ethyl esterethyl 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoateAlanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, ethyl ester, L-
Methyl-L-dopa ethyl esterstarbld0001650Epitope ID:768741METHYLDOPATE [VANDF]METHYLDOPATE [WHO-DD]SCHEMBL297359orb1693942CHEMBL1201233
データベース識別子
- CAS
6014-30-8- PubChem CID
- 17277
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 92.8 Ų
- 水素結合供与体数
- 3
- 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
- 271
物理化学的性質
- 沸点
- 398 · 398.0±37.0 °C(Predicted)
- 比重(密度)
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 溶解性
- DMSO（微量、加熱）、メタノール（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 9.83 · 9.83±0.10(Predicted)
- 色
- ダークブラウンからブラック
- 安定性
- 吸湿性
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.
Drugs that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.
Compounds that bind to and activate ADRENERGIC ALPHA-2 RECEPTORS.
応用分野
使用Methyldopate Hydrochloride is used in the successful treatment of murine neural blastoma. As well displays hypotensive effects.
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