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50-52-2生产厂家

50-52-2价格

相关CAS号：
50-52-2 114488-10-7
130-61-0 1189928-36-6
66969-81-1 80680-06-4
2347-80-0 1199751-98-8
16699-20-0 298-57-7

50-52-2

50-52-2结构式
50-52-2结构式
  • 常用中文名：硫利达嗪
  • 常用英文名：THIORIDAZINE
  • CAS号：50-52-2
  • 分子式：C21H26N2S2
  • 分子量：370.574
  • 相关类别： 原料药 人工合成抗感染类药 磺胺类药及增效剂
  • 发布时间：2018-09-22 15:35:20
  • 更新时间：2024-01-02 15:19:30
  • 硫利达嗪是多巴胺受体D2家族蛋白的拮抗剂,具有强大的抗精神病和抗焦虑活性。硫利达嗪也是PI3K-Akt-mTOR信号通路的有效抑制剂,具有抗血管生成作用。硫利达嗪在各种类型的癌细胞中显示出抗增殖和诱导凋亡作用,对靶向癌干细胞(CSCs)具有特异性[1][2][3][4]。

化源商城直购

中文名 硫利达嗪
英文名 thioridazine
中文别名 10-[2-(1-甲基-2-哌啶基)乙基]-2-甲硫基-10H-吩噻嗪
硫醚嗪
英文别名 3-Methylmercapto-N-[2'-(N'-methyl-2-piperidyl)ethyl]phenothiazine
EINECS 200-044-2
MFCD00242875
Phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylthio)-
10H-Phenothiazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylthio)-
2-Methylmercapto-10-[2-(N-methyl-2-piperidyl)ethyl]phenothiazine
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylthio)-10H-phenothiazine
THIORIDAZINE
10-[2-(1-Methyl-2-piperidinyl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine
10-[2-(1-Methyl-2-piperidinyl)ethyl]-2-(methylthio)-10H-phenothiazine
10-[2-(1-Methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine
UNII:N3D6TG58NI
10H-Phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylthio)-
描述 硫利达嗪是多巴胺受体D2家族蛋白的拮抗剂,具有强大的抗精神病和抗焦虑活性。硫利达嗪也是PI3K-Akt-mTOR信号通路的有效抑制剂,具有抗血管生成作用。硫利达嗪在各种类型的癌细胞中显示出抗增殖和诱导凋亡作用,对靶向癌干细胞(CSCs)具有特异性[1][2][3][4]。
相关类别
体外研究 硫利达嗪(0.01-100μM；48小时)以浓度依赖性方式降低NCI-N87和AGS细胞的细胞活力[2]。硫利达嗪(15μM；24小时)降低宫颈癌细胞(HeLa、Caski和C33A)和子宫内膜癌细胞(HEC-1-A和KLE)的细胞活力[4]。硫利达嗪(1-15μM；24-48小时)通过线粒体凋亡途径和线粒体途径诱导胃癌细胞死亡[2]。硫利达嗪(15μM；24 h)通过干扰PI3K/Akt通路调节细胞周期进程,并诱导宫颈癌和子宫内膜癌细胞G1细胞周期阻滞[4]。硫利达嗪抑制鲍曼不动杆菌对抗生素敏感和多重耐药菌株的生长[3]。细胞活力测定[1]细胞系：NCI-N87和AGS细胞。浓度：0.01,0.1,0.5,1,5,10,20,50,100μM。培养时间：48小时。结果：对胃癌细胞具有细胞毒性。Western Blot分析[1]细胞系：NCI-N87和AGS细胞浓度：1,5,10,15μM。培养时间：24,48小时。结果：caspase-9、caspase-8和caspase-3的前体表达下调。
体内研究 硫利达嗪(25mg/kg；连续3周每3天注射一次)可延长荷瘤小鼠的存活时间,并减少肿瘤内多能性胚胎癌(EC)细胞的数量[5]。硫利达嗪(1.0-5.0 mg/kg；s.c.)可减少口腔行为,并选择性地阻止重复的头部摆动[1]。动物模型：裸鼠和Rag2KO小鼠注射iPS细胞或NT2D1细胞[5]剂量：25mg/kg。给药：每3天注射一次,持续3周。结果：减少了恶性畸胎瘤中OCT4表达细胞的数量,延长了荷瘤小鼠的生存期。对生育率没有影响。
参考文献

[1]. Tschanz JT, et, al. Atypical antipsychotic drugs block selective components of amphetamine-induced stereotypy. Pharmacol Biochem Behav. 1988 Nov;31(3):519-22.

[2]. Mu J, et, al. Thioridazine, an antipsychotic drug, elicits potent antitumor effects in gastric cancer. Oncol Rep. 2014 May;31(5):2107-14.

[3]. Kang S, et, al. Thioridazine induces apoptosis by targeting the PI3K/Akt/mTOR pathway in cervical and endometrial cancer cells. Apoptosis. 2012 Sep;17(9):989-97.

[4]. Loehr AR, et, al. Targeting Cancer Stem Cells with Differentiation Agents as an Alternative to Genotoxic Chemotherapy for the Treatment of Malignant Testicular Germ Cell Tumors. Cancers (Basel). 2021 Apr 23;13(9):2045.
密度 1.2±0.1 g/cm3
沸点 515.7±50.0 °C at 760 mmHg
熔点 72-74°
分子式 C21H26N2S2
分子量 370.574
闪点 265.7±30.1 °C
精确质量 370.153748
PSA 57.08000
LogP 6.13
外观性状 液体
蒸汽压 0.0±1.3 mmHg at 25°C
折射率 1.677
储存条件

本品密封避光干燥保存。
水溶解性 Practically insoluble in water, very soluble in methylene chloride, freely soluble in methanol, soluble in ethanol (96 per cent).
分子结构

1、 摩尔折射率：112.80

2、 摩尔体积（cm3/mol）：299.5

3、 等张比容（90.2K）：829.1

4、 表面张力（dyne/cm）：58.6

5、 极化率（10-24cm3）：44.71
计算化学

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积57.1

7.重原子数量:25

8.表面电荷:0

9.复杂度:432

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1
更多

1. 性状： 晶体。

2. 密度（g/mL,25/4℃）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：72～74℃

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC, 5.2 kPa）：未确定

7. 折射率：未确定

8. 闪点（ºC）：未确定

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,25 ºC）：未确定

12. 饱和蒸气压（kPa,60 ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：未确定

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SP2100000
CHEMICAL NAME :
Phenothiazine, 10-((1-methyl-2-piperidyl)ethyl)-2-(methylthio)-
CAS REGISTRY NUMBER :
50-52-2
LAST UPDATED :
199712
DATA ITEMS CITED :
28
MOLECULAR FORMULA :
C21-H26-N2-S2
MOLECULAR WEIGHT :
370.61
WISWESSER LINE NOTATION :
T C666 BN ISJ ES1 B2- BT6NTJ A1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
43 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - cyanosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
28 mg/kg/2W-I
TOXIC EFFECTS :
Behavioral - muscle contraction or spasticity
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
14500 mg/kg/15Y-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - visual field changes Sense Organs and Special Senses (Eye) - retinal changes (pigmentary depositions, retinitis, other)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
43 mg/kg
TOXIC EFFECTS :
Vascular - regional or general arteriolar or venous dilation Lungs, Thorax, or Respiration - chronic pulmonary edema Blood - hemorrhage
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Cardiac - change in rate Behavioral - toxic psychosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - parasympatholytic
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
5214 mg/kg/5Y-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - retinal changes (pigmentary depositions, retinitis, other)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
995 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Behavioral - anticonvulsant Behavioral - antipsychotic
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
640 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Autonomic Nervous System - central sympatholytic Behavioral - alteration of classical conditioning
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
71 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
385 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
65 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
310 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
53 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
26 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3040 mg/kg/22W-I
TOXIC EFFECTS :
Cardiac - EKG changes not diagnostic of specified effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
10 mg/kg
SEX/DURATION :
male 7 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - impotence
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
30 mg/kg
SEX/DURATION :
male 7 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - impotence
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3214 ug/kg
SEX/DURATION :
male 3 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - impotence
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
80 mg/kg
SEX/DURATION :
female 1-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
100 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility

MUTATION DATA

TEST SYSTEM :
Insect - Drosophila melanogaster
DOSE/DURATION :
100 mg/L
REFERENCE :
IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 11,403,1973 *** REVIEWS *** TOXICOLOGY REVIEW JMSCA9 Journal of Mental Science. (London, UK) V.4-108, 1857-1962. For publisher information, see BJPYAJ. Volume(issue)/page/year: 106,755,1960 TOXICOLOGY REVIEW IDPYAK Industrial Pharmacology. (Mount Kisco, NY) V.1-3, 1974-79. Discontinued. Volume(issue)/page/year: 1,203,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5668 No. of Facilities: 35 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 430 (estimated) No. of Female Employees: 239 (estimated)

符号 GHS02 GHS06 GHS08
GHS02, GHS06, GHS08
信号词 Danger
危害声明 H225-H301 + H311 + H331-H370-H412
警示性声明 P210-P260-P273-P280-P301 + P310-P311
危害码 (欧洲) F,T
风险声明 (欧洲) 11-23/24/25-39/23/24/25-52/53
安全声明 (欧洲) 16-36/37-45-61
危险品运输编码 UN1230 - class 3 - PG 2 - Methanol, solution
7643-08-5结构式

7643-08-5

~%

50-52-2结构式

50-52-2
文献：Bourquin et al. Helvetica Chimica Acta, 1958 , vol. 41, p. 1072,1080
13313-45-6结构式

13313-45-6

~%

50-52-2结构式

50-52-2
文献：Bourquin et al. Helvetica Chimica Acta, 1958 , vol. 41, p. 1072,1080
99970-41-9结构式

99970-41-9

~%

50-52-2结构式

50-52-2
文献：Bourquin et al. Helvetica Chimica Acta, 1958 , vol. 41, p. 1072,1080
1783-81-9结构式

1783-81-9

~%

50-52-2结构式

50-52-2
文献：Bourquin et al. Helvetica Chimica Acta, 1958 , vol. 41, p. 1072,1080
101895-74-3结构式

101895-74-3

~%

50-52-2结构式

50-52-2
文献：Bourquin et al. Helvetica Chimica Acta, 1958 , vol. 41, p. 1072,1080
18902-93-7结构式

18902-93-7

~%

50-52-2结构式

50-52-2
文献：Bourquin et al. Helvetica Chimica Acta, 1958 , vol. 41, p. 1072,1080
16463-38-0结构式

16463-38-0

~%

50-52-2结构式

50-52-2
文献：Bourquin et al. Helvetica Chimica Acta, 1958 , vol. 41, p. 1072,1080

本品由丙酮中得晶体


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