기본 정보
- CAS
88660-47-3- 표준 SMILES
CC[C@@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12- InChIKey
SBFXHXZNBNFPHV-PXXBSISHSA-N- 분자식
- C32H43N5O5
- 평균 분자량
- 577.7 g/mol
- 단동위원소 질량
- 577.32641949
개요
Epicriptine is a peptide ergot alkaloid.
이름 및 식별자
- 우선 이름
- Epicriptine
- IUPAC
- (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2R)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
- 현지명
- 에피크립틴
- 영어명
- Epicriptine
- 분자식
- C32H43N5O5
- 분자량
- 577.722
이름 및 동의어
Epicriptine88660-47-3EpicriptinaEpicriptinumEpicryptineEpicriptine [INN]Epicriptinum [Latin]Epicriptina [Spanish]dihydro-beta-ergocryptinedihydro-.beta.-ergocryptine5M64643B5U(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2R)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
이름 더 보기
에피크립틴DCN 203-922(R)-9,10-Dihydro-β-ergocryptineErgotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-[(1R)-1-methylpropyl]-, (5'α,10α)-(6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide(α-dihydroergocryptine),(6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-10b-hydroxy-2-(1-methylethyl)-5-[(1RS-1-methylpropyl]-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide (β-dihydroergocryptine or epicriptine),
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,130
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 848.4 · 848.4±65.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.62 · 9.62±0.60(Predicted)
화학 및 산업
약리 정보
Protein BindingPlease refer to [DB01049] and to know more about the isomer please refer to [DB11274].
PharmacodynamicsPlease refer to [DB01049] and to know more about the isomer please refer to [DB11274].
Mechanism of Action
Epicriptine effect is mainly due to the agonistic activity on dopamine receptor. This activity is categorized as part of the ergoline class which is defined as a producer of a vasoconstrictive effect. Please refer to [DB01049] and to know more about the isomer please refer to [DB11274].
Biological Half-LifePlease refer to [DB01049] and to know more about the isomer please refer to [DB11274].
Metabolism/MetabolitesPlease refer to [DB01049] and to know more about the isomer please refer to [DB11274].
Absorption, Distribution and Excretion
Please refer to [DB01049] and to know more about the isomer please refer to [DB11274].
Please refer to [DB01049] and to know more about the isomer please refer to [DB11274].
Please refer to [DB01049] and to know more about the isomer please refer to [DB11274].
Please refer to [DB01049] and to know more about the isomer please refer to [DB11274].
응용 분야
용도(R)-9,10-Dihydro-β-ergocryptinen is a dopaminomimetic compound, a hormone-lowering effect drug, which possess a prolactin suppressant.
공급사4 곳
中梦研（湖北）科技有限公司0717-6300888 18062399888 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…