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86-42-0生产厂家

86-42-0价格

86-42-0

86-42-0结构式
86-42-0结构式

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中文名 阿莫地喹
英文名 amodiaquine
中文别名 氨酚喹啉
英文别名 4-[(7-Chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenol
SN 10,751
CAM-AQI
Camoquinal
4-[(7-Chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol
Camoquine
EINECS 201-669-3
4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino) methyl]phenol
MFCD00552927
Camoquin
Flavoquine
Miaquin
Phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((diethylamino)methyl)-
aminodiaquine
Amodiaquine
Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-
CAM-AQ1
Camochin
描述 Amodiaquine (Amodiaquin) 是一种4-氨基喹啉类抗疟剂,是一种有效的具有口服活性的组胺 N-甲基转移酶 (histamine N-methyltransferase) 抑制剂。Amodiaquine 也是一种 Nurr1 激动剂,可特异性结合 Nurr1 的配体结合域,EC50 为 ~20 μM。抗炎作用。
相关类别
靶点

EC50: ~20 μM (Nurr1-LBD (ligand binding domain))[1] Histamine N-methyltransferase[3]

体外研究 阿莫地喹(10-20μM;4小时)治疗以剂量依赖性方式抑制LPS诱导的促炎性细胞因子(IL-1β、IL-6、TNF-α和iNOS)的表达[1]。阿莫地喹(5μM;24小时)显著抑制神经毒素(6-OHDA诱导的原代多巴胺细胞死亡,通过TH+神经元数量和多巴胺摄取量检测。阿莫地喹对大鼠PC12细胞也有神经保护作用[1]。RT-PCR[1]细胞系:原代小胶质细胞浓度:10µM,15µM,20µM孵育时间:4h。结果:LPS诱导的促炎性细胞因子(IL-1β、IL-6、TNF-α和iNOS)的表达呈剂量依赖性。
体内研究 阿莫地喹(40 mg/kg;腹腔注射;每日;连续3天;雄性ICR小鼠)治疗可减少血周小胶质细胞/巨噬细胞和星形胶质细胞的活化。阿莫地喹还可抑制脑出血诱导的IL-1β、CCL2和CXCL2的mRNA表达,改善小鼠运动功能障碍[2]。动物模型:雄性ICR小鼠(8-10周龄)诱发脊髓内出血[2]剂量:40mg/kg腹腔注射;每日;连续3天结果:血周小胶质细胞/巨噬细胞和星形胶质细胞的活化减少。
参考文献

[1]. Chun-Hyung Kim, et al. Nuclear receptor Nurr1 agonists enhance its dual functions and improve behavioral deficits in an animal model of Parkinson's disease. Proc Natl Acad Sci U S A. 2015 Jul 14;112(28):8756-61.

[2]. Keita Kinoshita, et al. A Nurr1 agonist amodiaquine attenuates inflammatory events and neurological deficits in a mouse model of intracerebral hemorrhage. J Neuroimmunol. 2019 May 15;330:48-54.

[3]. Akira Yokoyama, et al. Effect of amodiaquine, a histamine N-methyltransferase inhibitor, on, Propionibacterium acnes and lipopolysaccharide-induced hepatitis in mice. Eur J Pharmacol. 2007 Mar 8;558(1-3):179-84.

[4]. M T HOEKENGA. The treatment of acute malaria with single oral doses of amodiaquin, chloroquine, hydroxychloroquine and pyrimethamine. Am J Trop Med Hyg. 1954 Sep;3(5):833-8.

密度 1.3±0.1 g/cm3
沸点 478.0±45.0 °C at 760 mmHg
熔点 208°C
分子式 C20H22ClN3O
分子量 355.861
闪点 242.9±28.7 °C
精确质量 355.145142
PSA 48.39000
LogP 4.77
外观性状 水晶般的固体
蒸汽压 0.0±1.2 mmHg at 25°C
折射率 1.669
储存条件 -20°C Freezer
分子结构

1、 摩尔折射率:105.50

2、 摩尔体积(cm3/mol):282.7

3、 等张比容(90.2K):771.1

4、 表面张力(dyne/cm):55.2

5、 极化率(10-24cm3):41.82

计算化学

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:6

5.互变异构体数量:13

6.拓扑分子极性表面积48.4

7.重原子数量:25

8.表面电荷:0

9.复杂度:406

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:0

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GO7300000
CHEMICAL NAME :
o-Cresol, 4-((7-chloro-4-quinolyl)amino)-alpha-(diethylamino)-
CAS REGISTRY NUMBER :
86-42-0
BEILSTEIN REFERENCE NO. :
0300962
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C20-H22-Cl-N3-O
MOLECULAR WEIGHT :
355.90
WISWESSER LINE NOTATION :
T66 BNJ EMR DQ C1N2&2& IG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
72 mg/kg/7W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - pulmonary emboli Liver - other changes Blood - agranulocytosis
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
20 mg/kg/25D-I
TOXIC EFFECTS :
Blood - thrombocytopenia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
29 mg/kg/25D-I
TOXIC EFFECTS :
Blood - thrombocytopenia
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 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 :
550 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 :
225 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Phage inhibition capacity
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
5 mg/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 222,311,1989

安全声明 (欧洲) S22-S24/25-S8
WGK德国 3
海关编码 2933499090

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文献:WO2013/138200 A1, ; Paragraph 0073; 0074 ;

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文献:Zhurnal Obshchei Khimii, , vol. 25, p. 331,335; engl. Ausg. S. 313, 316 Journal of the American Chemical Society, , vol. 70, p. 1363,1372 Journal of the American Chemical Society, , vol. 72, p. 1024

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86-42-0

文献:Journal of Medicinal Chemistry, , vol. 37, # 9 p. 1362 - 1370

~%

86-42-0结构式

86-42-0

文献:Journal of the American Chemical Society, , vol. 70, p. 1363,1372 Journal of the American Chemical Society, , vol. 72, p. 1024

~%

86-42-0结构式

86-42-0

文献:Journal of Medicinal Chemistry, , vol. 37, # 9 p. 1362 - 1370
海关编码 2933499090
中文概述 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%