기본 정보
- CAS
6014-30-8- 표준 SMILES
CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1- InChIKey
SVEBYYWCXTVYCR-LBPRGKRZSA-N- 분자식
- C12H17NO4
- 평균 분자량
- 239.27 g/mol
- 단동위원소 질량
- 239.11575802
개요
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.
이름 및 식별자
- 우선 이름
- Methyldopate
- IUPAC
- ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
- 현지명
- 메틸도페이트
- 영어명
- methyldopate
- 분자식
- C12H17NO4
- 분자량
- 239.27
이름 및 동의어
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
이름 더 보기
메틸도페이트methyldopa 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
데이터베이스 식별자
- CAS
6014-30-8
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 92.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 271
물리화학적 성질
- 끓는 점
- 398 · 398.0±37.0 °C(Predicted)
- 밀도
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.83 · 9.83±0.10(Predicted)
- 색상
- 짙은 갈색에서 검정색까지
- 안정성
- 흡습성
화학 및 산업
약리 정보
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.
응용 분야
용도Methyldopate Hydrochloride is used in the successful treatment of murine neural blastoma. As well displays hypotensive effects.
공급사9 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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