基本情報
- CAS
119431-25-3- 標準SMILES
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1- InChIKey
GGUSQTSTQSHJAH-UHFFFAOYSA-N- 分子式
- C20H23ClFNO
- 平均分子量
- 347.9 g/mol
- 単同位体質量
- 347.1452202
概要
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.
名称と識別子
- 優先名称
- Eliprodil
- IUPAC
- 1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol
- 現地名
- rac-(R*)-α-(4-クロロフェニル)-4-(4-フルオロベンジル)-1-ピペリジンエタノール
- 英語名
- Eliprodil
- 分子式
- C20H23ClFNO
- 分子量
- 347.85
名称と別名
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
名称をさらに表示
エリプロジルrac-(R*)-α-(4-クロロフェニル)-4-(4-フルオロベンジル)-1-ピペリジンエタノールエリブロジルSL 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
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 23.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 359
物理化学的性質
- 沸点
- 474.1 · 474.1±35.0 °C(Predicted)
- 比重(密度)
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · Sealed in dry,2-8°C
- 溶解性
- 17 mg/mL · DMSO: ~17 mg/mL
- 外見
- 個体
- 酸解離定数(Pka)
- 13.99 · 13.99±0.20(Predicted)
- 色
- 白い
- 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
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
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.
危険有害性情報
Hazard Classes and CategoriesEye Irrit. 2 (100%)
安全データ
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
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.
応用分野
説明N-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.
使用Eliprodil is a noncardiac drug with neuroprotective properties. It is also a N-Methyl-D-aspartate receptor (NMDAR) antagonist.
サプライヤー80 社
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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