CAS: 144025-14-9; (S)-Desmethylcitalopram

该化合物是一种化学化合物,是丙烯丙烯的衍生物,是选择性血清重新摄入抑制剂(SSRI)类的抗抑郁剂,其特征是结构改变,特别是将一个甲基组从丙烯丙烯酸盐中移除,因此,它可能表现出类似于丙烯丙烯的药性特性,有可能影响大脑的血清素水平,从而影响情绪和情绪调节.二甲基丙烯丙烯的典型研究是结合其生物活动和潜在的治疗应用,特别是在治疗抑郁和焦虑症方面,其溶性,稳定性和与生物系统的互动是影响其功效和安全特征的重要特征.研究其药用动力学和药用动力学对于了解其在临床环境中的作用至关重要.与这一类中的许多化合物一样,认真考虑剂量和副作用对于其治疗用途至关重要.

英文名称(S)-Desmethylcitalopram
中文名称(S)-去甲基西酞普兰
IUPAC名称(S)-1-(4-fluorophenyl)-1-(3-(methylamino)propyl)-1,3-dihydroisobenzofuran-5-carbonitrile
其它别名Demethylcitalopram; 1-(4-Fluoro-Phenyl)-1-(3-Methylamino-Propyl)-1,3-Dihydro-Isobenzofuran-5-Carbonitril; Rac Demethyl Citalopram; S-Desmethylcitalopram; 1-(4-Fluoro-Phenyl)-1-(3-Methylamino-Propyl)-1,3-Dihydro-Isobenzofuran-5-Carbonitrile Hydrochloride; Citalopram Impurity 4/citalopram Ep Impurity D Hcl/(S)-N-Desmethyl Citalopram Hydrochloride; Racdemethyl Citalopram Hydrochloride; 1-(4-Fluoro-Phenyl)-1-(3-Methylamino-Propyl)-1,3-Dihydro-Isobenzofuran-5-Carbonitrile
CAS编号144025-14-9
MFCD编号:MFCD06411104
EINECS号:802-945-1
FDA UNII编号:68457TFE9P
分子式:C19H19FN2O
分子量:310.37
产品CID: 669780
产品分类分析化学 → 标准品 → 标准物质

相似结构搜索
InChIKey: PTJADDMMFYXMMG-IBGZPJMESA-N
InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3/t19-/m0/s1…
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数5.0

MSDS等安全信息

GHS象形图
GHS符号GHS09;
注释: Environment
危险类别水生急性毒性类别1
警示词Warning(警告)
危险描述H400 |对水生生物毒性极大.
防范说明P210-P260-P280-P301+P310-P311
UN编号UN1230 - class 3 - PG 2 - Methanol, solution
危险品标志F,T
安全声明16-36/37-45
危险类别码11-23/24/25-39/23/24/25
WGK Germany1

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

草酸右旋西酞普兰置于ammonium Hydroxide,1-氯乙基氯甲酸酯体系中,用乙酸乙酯,甲苯用作溶剂,化学反应 6.5H,以96%的收率获得1-(4-氟苯基)-1-[3-(甲基氨基)丙基]-1,3-二氢-2-苯并呋喃-5-甲腈
参考文献:Design,Synthesis,And Biological Evaluation Of A Series Of Bifunctional Ligands Of Opioids/ssris
标题:Design,Synthesis,And Biological Evaluation Of A Series Of Bifunctional Ligands Of Opioids/ssris
摘要:A Series Of Opioid And Serotonin Re-Uptake Inhibitors (Ssris) Bifunctional Ligands Have Been Designed,Synthesized,And Tested For Their Activities And Efficacies At Mu-,Delta-And Kappa Opioid Receptors And Ssris Receptors. Most Of The Compounds Showed High Affinities For Mu-And Delta-Opioid Receptors And Lower Affinities For Ssris And Kappa Opioid Receptors. A Docking Study On The Mu-Opioid Receptor Binding Pocket Has Been Carried Out For Ligands 3-11. The Ligands 7 And 11 Have Displayed The Highest Binding Profiles For The L-Opioid Receptor Binding Site With Delta G(Bind) (-12.14 Kcal/mol) And K-I Value (1.0 Nm),And Delta G(Bind) (-12.41 Kcal/mol) And K-I Value (0.4 Nm),Respectively. Ligand 3 Was Shown To Have The Potential Of Dual Acting Serotonin/norepinephrine Re-Uptake Inhibitor (Snri) Antidepressant Activity In Addition To Opioid Activities,And Thus Could Be Used For The Design Of Multifunctional Ligands In The Area Of A Novel Approach For The Treatment Of Pain And Depression. (C) 2015 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/j.Bmc.2015.01.047