기본 정보
- CAS
119431-25-3- 표준 SMILES
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1- InChIKey
GGUSQTSTQSHJAH-UHFFFAOYSA-N- 분자식
- C20H23ClFNO
- 평균 분자량
- 347.9 g/mol
- 단동위원소 질량
- 347.1452202
개요
Eliprodil is a racemate comprising equimolar amounts of (R)- and (S)-eliprodil. It is a non-competitive N-methyl-D-aspartate (NMDA) receptor antagonist and an anti-ischaemic agent that exhibits neuroprotective properties. It has a role as a geroprotector, a calcium channel blocker, a NMDA receptor antagonist and a neuroprotective agent. It contains a (R)-eliprodil and a (S)-eliprodil.
이름 및 식별자
- 우선 이름
- Eliprodil
- IUPAC
- 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol
- 현지명
- 알파-(4-클로로페닐)-4-[(4-플루오로페닐)메틸]-1-피페리딘에탄올
- 영어명
- Eliprodil
- 분자식
- C20H23ClFNO
- 분자량
- 347.85
이름 및 동의어
Eliprodil119431-25-3DTXSID1045744SL-820715YW62A6TW29DTXCID9025744CHEBI:917841-Piperidineethanol, alpha-(4-chlorophenyl)-4-(4-fluorophenyl)-, (+-)-1-(4-chlorophenyl)-2-{4-[(4-fluorophenyl)methyl]piperidin-1-yl}ethan-1-oleliprodilumSL 82.07151-(4-chlorophenyl)-2-(4-((4-fluorophenyl)methyl)piperidin-1-yl)ethan-1-ol
이름 더 보기
알파-(4-클로로페닐)-4-[(4-플루오로페닐)메틸]-1-피페리딘에탄올SL 820715Eliprodil, 10 mM in DMSO1-(4-broMophenyl)-2-(4-(4-fluorobenzyl)piperidin-1-yl)ethanolα-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-1-piperidineethanol(+-)-alpha-(p-Chlorophenyl)-4-(p-fluorobenzyl)-1-piperidineethanol1-Piperidineethanol, α-(4-chlorophenyl)-4-[(4-fluorophenyl)methyl]-SL 820715, α-(4-Chlorophenyl)-4-[(4-fluorophenyl)methyl]-1-piperidineethanol
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethan-1-ol(4-chlorophenyl)-4-((4-fluorophenyl)methyl)-1-piperidineethanolRefChem:590714Eliprodil [INN]1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol1-(4-chlorophenyl)-2-(4-(4-fluorobenzyl)piperidin-1-yl)ethan-1-olalpha-(4-Chlorophenyl)-4-[(4-fluorophenyl)methyl]-1-piperidineethanolSL 82-0715
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 359
물리화학적 성질
- 끓는 점
- 474.1 · 474.1±35.0 °C(Predicted)
- 밀도
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 17 mg/mL · DMSO: ~17mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.99 · 13.99±0.20(Predicted)
- 색상
- 하얀색
- InChI
- 1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
- InChIKey
- GGUSQTSTQSHJAH-UHFFFAOYSA-N
- SMILES
- OC(CN1CCC(CC1)Cc2ccc(F)cc2)c3ccc(Cl)cc3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesEye Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
응용 분야
개요N-Methyl-D-aspartate (NMDA) receptors are calcium permeable ligand-gated channels of the central nervous system that are activated after binding of the co-agonists glutamate and glycine. Eliprodil is a non-competitive NMDA receptor antagonist that inhibits neuronal calcium channel currents. It is selective for NR2B subunit-containing receptors (IC50 = 1 μM), displaying greater than 100-fold selectivity for NR2B over NR2A and NR2C subunits. Eliprodil also avidly binds σ1 and σ2 sites (Kis = 0.013 and 0.63 μM, respectively). It is effective in vivo, blocking ischemia-induced neurodegeneration in the CA1 region of the hippocampus of gerbils subjected to bilateral carotid artery occlusion. Eliprodil can also have proarrhythmic actions in hearts under normal conditions.
용도Eliprodil is a noncardiac drug with neuroprotective properties. It is also a N-Methyl-D-aspartate receptor (NMDAR) antagonist.
공급사80 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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