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盐酸舍曲林

盐酸舍曲林用途

【用途一】
强效和特异性的5-羟色胺吸收抑制剂。用于治疗抑郁症，预防抑郁症早期发作的复发或病情加重的复发。
【用途二】
抗抑郁药。

盐酸舍曲林名称

[ CAS 号 ]:
79559-97-0

[ 中文名 ]:
盐酸舍曲林

[ 英文名 ]:
Sertraline hydrochloride

[中文别名 ]:

[英文别名 ]:

Zoloft
EINECS 200-659-6
Sertraline hydrochloride
(+)-sertraline hydrochloride
CP-51974-1
CP 51974-1
Cp 51,974-1
MFCD00895772
Lustral
Sertraline.HCl

盐酸舍曲林生物活性

[ 描述 ]:

Sertraline盐酸盐是选择性5羟色胺再吸收抑制剂(SSRI)。

[ 相关类别 ]:

信号通路 >> 神经信号通路 >> 5-羟色胺转运蛋白

研究领域 >> 神经疾病

[参考文献]

[1]. Murdoch D, et al. Sertraline. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic potential in depression and obsessive-compulsive disorder. Drugs. 1992 Oct;44(4):604-24.

[2]. Koe BK. Preclinical pharmacology of sertraline: a potent and specific inhibitor of serotonin reuptake. J Clin Psychiatry. 1990 Dec;51 Suppl B:13-7.

[相关活性小分子]

盐酸舍曲林物理化学性质

[ 沸点 ]:
416.3ºC at 760 mmHg

[ 熔点 ]:
246-249°C

[ 分子式 ]:
C₁₇H₁₈Cl₃N

[ 分子量 ]:
342.690

[ 闪点 ]:
205.6ºC

[ 精确质量 ]:
341.050476

[ PSA ]:
12.03000

[ LogP ]:
6.37250

[ 外观性状 ]:
白色至灰白色晶体

[ 储存条件 ]:
Desiccate at RT

[ 稳定性 ]:
Store in Freezer

[ 水溶解性 ]:
DMSO: ~26 mg/mL

盐酸舍曲林MSDS

盐酸舍曲林毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QJ0352070

CHEMICAL NAME :: 1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-, hydrochloride, (1S-cis)-

CAS REGISTRY NUMBER :: 79559-97-0

LAST UPDATED :: 199606

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C17-H17-Cl2-N.Cl-H

MOLECULAR WEIGHT :: 342.71

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 7 mg/kg/2W-I

TOXIC EFFECTS :: Behavioral - headache Musculoskeletal - changes in teeth and supporting structures Skin and Appendages - sweating

REFERENCE :: JCLPDE Journal of Clinical Psychiatry. (Physicians Postgraduate Press, Inc., POB 240008, Memphis, TN 38124) V.39- 1978- Volume(issue)/page/year: 54,432,1993

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 7 mg/kg/7D-I

TOXIC EFFECTS :: Behavioral - excitement

REFERENCE :: JCLPDE Journal of Clinical Psychiatry. (Physicians Postgraduate Press, Inc., POB 240008, Memphis, TN 38124) V.39- 1978- Volume(issue)/page/year: 54,321,1993 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 56 mg/kg

SEX/DURATION :: female 5 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - breasts, lactation (prior to or during pregnancy)

REFERENCE :: AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 150,1269,1993

盐酸舍曲林安全信息

[ 符号 ]:

GHS02, GHS06, GHS08

[ 信号词 ]:
Danger

[ 危害声明 ]:
H225-H301 + H311 + H331-H370

[ 警示性声明 ]:
P210-P260-P280-P301 + P310-P311

[ 个人防护装备 ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ 危害码 (欧洲) ]:
Xi

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S22-S24/25

[ 危险品运输编码 ]:
UN1230 - class 3 - PG 2 - Methanol, solution

[ WGK德国 ]:
3

[ RTECS号 ]:
QJ0352070

[ 海关编码 ]:
2921300090

盐酸舍曲林合成路线

盐酸舍曲林上下游产品

盐酸舍曲林上游产品

盐酸舍曲林下游产品

盐酸舍曲林制备

1. 3,4-二氯苯甲酰氯在三氯化铝存在下，对苯酰化得到3,4-二氯二苯甲酮。再在叔丁醇钾作用下，和丁二酸二乙酯反应，得化合物(Ⅰ)。(Ⅰ)水解并脱羧，得化合物(Ⅱ)。(Ⅱ)还原得化合物(Ⅲ)，再二氯亚砜氯化为其酰氯(Ⅳ)。然后在三氯化铝作用下环合为化合物(Ⅴ)，最后和甲胺作用，得消旋的舍曲林。经拆分，可得光学活性的盐酸舍曲林

2. 4-(3,4-二氯苯基)-3,4-二氢-1(2H)-萘酮的制备

在反应瓶中加入邻二氯苯500ml和α-萘酚144g(1mol),搅拌下分批加入无水三氯化铝200g(1.5mol),120ºC下反应,搅拌反应过程中,深黄色固体悬浮物逐渐溶解,溶解逐渐变成绿色.搅拌反应3h后冷却,加水500ml终止反应,水层用少量邻二氯苯洗涤.合并有机层,将其用无水MgSO4干燥,过滤,滤液蒸除溶剂,得浅褐色固体290g, 用己烷500ml类白色固体4-(3,4-二氯苯基)-3,4-二氢-1(2H)-萘酮275g,收率95%,mp96~99ºC(文献[5,6]报道mp99~101ºC).

3. N-[4-(3,4-二氯苯基)-1,2,3,4-四氢-1-萘基]-N-甲基甲酰胺的制备

在反应瓶中加入4-(3,4-二氯苯基)-3,4-二氢-1(2H)-萘酮275g(0.95mol)和N-甲基甲酰胺168g(0.85mol),搅拌混合后分批加入甲酸30g(0.65mol),在195~200ºC反应5h后停止加热,冷却,蒸除过量的N-甲基甲酰胺,剩余物冷却后得到浅棕色胶状体.加入乙酸乙酯200ml后室温搅拌1h.过滤,滤饼干燥,得灰白色固体N-[4-(3,4-二氯苯基)-1,2,3,4-四氢-1-萘基]-N-甲基甲酰胺267g,收率84%,mp109~110 ºC.

4. 舍曲林[(1S,4S)-异构体]的制备

在反应瓶中加入正丁醇200ml和N-[4-(3,4-二氯苯基)-1,2,3,4-四氢-1-萘基]-N-甲基甲酰胺137g(0.5mol),于100 ºC搅拌下分批加入KOH110g(1.96mol),热回流4h.冷却,加入水200ml静置分层,有机相(含舍曲林顺式外消旋体)中加入热D-(-)-扁桃酸76g(0.5mol)的正丁醇(100ml)溶液,搅拌15min后冷却,有固体析出,放置冰箱过夜.过滤,滤饼用少量正丁醇洗涤后干燥#,得白色舍曲林D-(-)-扁桃酸盐粗品110.5g,用正丁醇100ml重结晶,得纯品100.3g,收率36.7%,mp190~192ºC.(文献[5,6]报道190~191ºC).取纯品100g(0.2mol)溶于水/乙醚(1:1), 搅拌下滴入5mol/LNaOH溶液,调至pH11,水层用乙醚洗,合并乙醚相,得舍曲林(舍曲林1S,4S-异构体)的乙醚溶液待用.

5. 盐酸舍曲林的合成

在烧杯中加舍曲林[(1S,4S)-异构体]的乙醚溶液和过量的36%盐酸,搅拌混匀,有白色固体生成,静置过夜后过滤,滤饼用乙醚洗,常温减压干燥,得白色盐酸舍曲林粗品65g,收率95%,mp242~244 ºC.( 文献[5,6]报道收率96%,mp243~245ºC).粗品用乙醇100ml重结晶2次,得纯品盐酸舍曲林58g,精制收率89%,纯度99.5%(HPLC归一化法).

盐酸舍曲林海关

[ 海关编码 ]: 2921499090

[ 中文概述 ]:
2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

盐酸舍曲林文献

Ultrasound effects on brain-targeting mannosylated liposomes: in vitro and blood-brain barrier transport investigations.

Drug Des. Devel. Ther. 9 , 3885-98, (2015)

Delivering drugs to intracerebral regions can be accomplished by improving the capacity of transport through blood-brain barrier. Using sertraline as model drug for brain targeting, the current study ...

Gingival pain: an unusual side effect of ziprasidone.

BMJ Case Rep. 2013 , doi:10.1136/bcr-2012-007577, (2013)

The patient is a 52-year-old man with schizophrenia who developed severe, unremitting gingival pain after his ziprasidone dosage was increased from 80 to 120 mg. His physical examination and laborator...

Behavioral and biochemical responses in freshwater fish Carassius auratus exposed to sertraline.

Chemosphere 135 , 146-55, (2015)

Sertraline is one of the most commonly prescribed selective serotonin reuptake inhibitors and is frequently detected in the aquatic environment. However, knowledge regarding relationships among molecu...

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