CAS: 329216-67-3; 2-(4-Benzo[b][1,4]Benzothiazepin-6-Ylpiperazin-1-yl)Ethanol

该化合物是一种化学化合物,其特点是结构复杂,包括一个含有两个苯环和管状松的硫氨环,与两个苯环和一个管状松合在一起.该化合物通常具有与硫化苯和管状松(Piplanza)相关的特性,例如潜在的药用活动,包括厌毒或抗抑郁作用.乙醇侧链中存在氢氧基聚醚可能会加强其溶性以及与生物目标的相互作用.分子结构表明,该化合物可以从事氢联结,影响其再活性和生物活动.此外,该化合物独特的外生蛋白和芳香系统可能会有助于其稳定性和潜力,并成为药物开发中的铅化合物.与许多合成有机化合物一样,其在生物系统中的行为将取决于诸如脂性,代谢稳定性和感应感等因素.为了充分阐明其化学特性和潜在用途,有必要进一步研究该化合物在化学方面的情况.

英文名称2-(4-Benzo[b][1,4]Benzothiazepin-6-Ylpiperazin-1-yl)Ethanol
中文名称4-二苯并[b,f][1,4]硫氮杂卓-11-基-1-哌嗪乙醇
IUPAC名称2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanol
CAS编号329216-67-3
MFCD编号:MFCD09260028
EINECS号:700-085-0
FDA UNII编号:5GWY87J9I4
分子式:C19H21N3OS分子量:339.461
产品CID: 1321808
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: OFLMIXVKBNAUIB-UHFFFAOYSA-N
InChI=1S/C19H21N3OS/c23-14-13-21-9-11-22(12-10-21)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20-19/h1-8,23H,9-14H2
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数3.0

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS05;
注释: Exclamation mark & Corrosion
危险类别急性毒性类别4(经口)
严重眼损伤类别1
水生慢性毒性类别1
特定目标器官毒性 - 单次接触类别3
严重眼刺激类别2
生殖毒性类别2
警示词Danger(危险)
危险描述H302 |吞咽有害.
H318 |造成严重眼损伤.
H410 |对水生生物毒性极大并具有长期持续影响.
H335 |可能引起呼吸道刺激.
H319 |造成严重眼刺激.
H361d |怀疑对胎儿造成损害.
H336 |可能引起嗜睡或头晕.
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

欧盟法规

REACH注册ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

📜二苯并[b,F][1,4]硫氮杂卓-11-[10H]酮置于n,N-二甲基苯胺,三氯氧磷体系中,用 Xylene 用作溶剂,化学反应 4.0H,反应生成奎硫平去羟乙基杂质
参考文献:Behavioral Approach To Nondyskinetic Dopamine Antagonists: Identification Of Seroquel
标题:Behavioral Approach To Nondyskinetic Dopamine Antagonists: Identification Of Seroquel
摘要:A Great Need Exists For Antipsychotic Drugs Which Will Not Induce Extrapyramidal Symptoms (Eps) And Tardive Dyskinesias (Tds). These Side Effects Are Deemed To Be A Consequence Of Nonselective Blockade Of Nigrostriatal And Mesolimbic Dopamine D2 Receptors. Nondyskinetic Clozapine (1) Is A Low-Potency D2 Dopamine Receptor Antagonist Which Appears To Act Selectively In The Mesolimbic Area. In This Work Dopamine Antagonism Was Assessed In Two Mouse Behavioral Assays: Antagonism Of Apomorphine-Induced Climbing And Antagonism Of Apomorphine-Induced Disruption Of Swimming. The Potential For The Liability Of Dyskinesias Was Determined In Haloperidol-Sensitized Cebus Monkeys. Initial Examination Of A Few Close Cogeners Of 1 Enhanced Confidence In The Cebus Model As A Predictor Of Dyskinetic Potential. Considering Dibenzazepines,2 Was Not Dyskinetic Whereas 2A Was Dyskinetic. Among Dibenzodiazepines,1 Did Not Induce Dyskinesias Where As Its N-2-(2-Hydroxyethoxy)Ethyl Analogue 3 Was Dyskinetic. The Emergence Of Such Distinctions Presented An Opportunity. Thus,Aromatic And N-Substituted Analogues Of 6-(Piperazin-1-yl)-11H-Dibenz[b,E]Azepines And 11-(Piperazin-1-yl)Dibenzo[b,F][1,4]Thiazepines And-Oxazepines Were Prepared And Evaluated. 11-(4-[2-(2-Hydroxyethoxy)Ethyl]Piperazin-1-yl)Dibenzo[b,F][1,4]Thiazepine (23) Was Found To Be An Apomorphine Antagonist Comparable To Clozapine. It Was Essentially Nondyskinetic In The Cebus Model. With 23 As A Platform,A Number Of N-Substituted Analogues Were Found To Be Good Apomorphine Antagonists But All Were Dyskinetic.
Doi:10.1021/jm000242+