90-34-6

• 常用中文名：伯氨喹
• 常用英文名：Primaquine
• CAS号：90-34-6
• 分子式：C₁₅H₂₁N₃O
• 分子量：259.347
• 相关类别： 原料药 抗寄生虫病药 抗疟药
• 发布时间：2018-09-08 18:21:07
• 更新时间：2024-01-03 05:27:19
• 伯氨喹是一种有效的抗疟剂,也是恶性疟的有效杀配子细胞剂。伯氨喹预防间日疟和卵形疟复发[1][2]。

名称

• 中文名: 伯氨喹
• 英文名: primaquine
• 中文别名: N-(6-甲氧基喹啉-8-基)戊-1,4-二胺; 伯喹
• 英文别名: (±)-Primaquine; [14C]-Primaquine; 1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)- (9CI); Primaquine; 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine; N4-(6-methoxy-8-quinolinyl)1,4-pentanediamine; Primaquin; Primachinum; 1,4-Pentanediamine, N4- (6-methoxy-8-quinolinyl)-; N-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine; 8-[(4-Amino-1-methylbutyl)amino]-6-methoxyquinoline; 1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-; Neo-Quipenyl; 1,4-Pentanediamine, N(4)-(6-methoxy-8-quinolinyl)-; 8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline; N4-(6-Methoxy-8-quinolinyl)-1,4-pentanediamine; EINECS 201-987-2; Primaquinum; N-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine; UNII:MVR3634GX1; Primachin; Primaquina; 6-Methoxy-8-[(4-amino-1-methylbutyl)amino]quinoline; N'-(6-methoxy-8-quinolinyl)-1,4-pentanediamine; 1,4-Pentanediamine, N-(6-methoxy-8-quinolinyl)-; N-[6-(methyloxy)quinolin-8-yl]pentane-1,4-diamine

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 451.1±45.0 °C at 760 mmHg
• 熔点: 25°C
• 分子式: C₁₅H₂₁N₃O
• 分子量: 259.347
• 闪点: 226.6±28.7 °C
• 精确质量: 259.168457
• PSA: 60.17000
• LogP: 2.67
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.616
• 储存条件: 2-8°C
• 分子结构:

  1、 摩尔折射率：75.86

  2、 摩尔体积（cm³/mol）：213.8

  3、 等张比容（90.2K）：566.5

  4、 表面张力（dyne/cm）：49.3

  5、 极化率（10-24cm3）：30.07

• 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:无

  6.拓扑分子极性表面积60.2

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:262

  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：粘性液体。

  2.沸点（℃）：175-179（0.0266kPa）。

  3.溶解性：溶于醚。

生物活性

• 描述: 伯氨喹是一种有效的抗疟剂,也是恶性疟的有效杀配子细胞剂。伯氨喹预防间日疟和卵形疟复发[1][2]。
• 相关类别:
  研究领域 >> 感染
• 参考文献:

  [1]. Baird JK, et al. Primaquine therapy for malaria. Clin Infect Dis. 2004 Nov 1;39(9):1336-45.

  [2]. Ashley EA, et al. Primaquine: the risks and the benefits. Malar J. 2014 Nov 3;13:418.

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: Primaquine Synonyms:N-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Primaquine CAS number:90-34-6 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C15H21N3O Molecular weight:259.4 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : VA9650000 CHEMICAL NAME : Quinoline, 8-(4-amino-1-methylbutylamino)-6-methoxy- CAS REGISTRY NUMBER : 90-34-6 BEILSTEIN REFERENCE NO. : 0019337 LAST UPDATED : 199712 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C15-H21-N3-O MOLECULAR WEIGHT : 259.39 WISWESSER LINE NOTATION : T66 BNJ HO1 JMY1&3Z HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 100 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 : 15900 ug/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 : Unreported SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 68800 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 96 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 810 mg/kg/3W-I TOXIC EFFECTS : Behavioral - ataxia Liver - hepatitis (hepatocellular necrosis), zonal Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 283 mg/kg/5D-I TOXIC EFFECTS : Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 336 mg/kg/16D-I TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia Gastrointestinal - hypermotility, diarrhea MUTATION DATA TEST SYSTEM : Rodent - rat DOSE/DURATION : 8 mg/kg REFERENCE : SYXUD2 Shandong Yixueyuan Xuebao. Journal of Shandong Medical College. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) Beginning history not known. Volume(issue)/page/year: 23,26,1985

安全

• 危害码 (欧洲): Xn
• 海关编码: 2933499090

合成路线

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海关

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%