93117-08-9

• 常用中文名：5-氨基-2H-异喹啉-1-酮
• 常用英文名：5-Aminoisoquinolin-1(2H)-one
• CAS号：93117-08-9
• 分子式：C₉H₈N₂O
• 分子量：160.173
• 相关类别： 医药中间体 杂环化合物 异喹啉类化合物
• 发布时间：2018-07-03 19:25:19
• 更新时间：2024-01-10 13:19:13
• 5-AIQ(5-氨基异喹啉-1-酮)是一种水溶性PARP-1抑制剂。5-AIQ是各种药物中的重要功能基团。5-AIQ可减少肝脏缺血再灌注相关的组织损伤,可用于研究肝脏缺血再灌流相关的治疗条件[1][2]。

名称

• 中文名: 5-氨基-1(2H)-异喹啉酮
• 英文名: 5-Aminoisoquinolin-1(2H)-one
• 中文别名: 1-羟基-5-氨基异喹啉; 5-氨基-2H-异喹啉-1-酮
• 英文别名: 5-Amino-1(2H)-isoquinolinone; 5-Amino-2H-isoquinolin-1-one; 5-Aminoisoquinolin-1(2H)-one; 1(2H)-Isoquinolinone, 5-amino-

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 477.3±45.0 °C at 760 mmHg
• 分子式: C₉H₈N₂O
• 分子量: 160.173
• 闪点: 242.4±28.7 °C
• 精确质量: 160.063660
• PSA: 58.88000
• LogP: -0.15
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.657
• 储存条件: 室温

生物活性

• 描述: 5-AIQ(5-氨基异喹啉-1-酮)是一种水溶性PARP-1抑制剂。5-AIQ是各种药物中的重要功能基团。5-AIQ可减少肝脏缺血再灌注相关的组织损伤,可用于研究肝脏缺血再灌流相关的治疗条件[1][2]。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 表观遗传学 >> PARP
  信号通路 >> 细胞周期/DNA损伤 >> PARP
• 靶点:

  PARP-1

• 体外研究: 5-AIQ(5000μg)显著减少了没有代谢激活的TA 98和有代谢激活的TA98和TA1537的菌落数量[1]。
• 体内研究: 通过微核试验,5-AIQ(150和250 mg/kg；口服；一次)在体内没有明显的遗传毒性[1]。5-AIQ(3 mg/kg；p.o.；肝脏缺血开始前5分钟)可减少与肝脏缺血再灌注相关的组织损伤[2]。动物模型：雄性小鼠[1]剂量：150和250 mg/kg给药：口服灌胃；150和250mg/kg；结果：与相应对照组相比,在125和250 mg/kg持续暴露后24小时和48小时,微核多色红细胞(MNPCE)均未增加。动物模型：麻醉雄性Wistar大鼠肝脏缺血(30分钟)和再灌注(2小时)[2]剂量：3 mg/kg给药：静脉注射；3毫克/千克；肝缺血开始前5分钟结果：PARP活化减少,ICAM-1染色减少。
• 参考文献:

  [1]. Vinod KR, Chandra S, Sharma SK. Evaluation of 5-aminoisoquinoline (5-AIQ), a novel PARP-1 inhibitor for genotoxicity potential in vitro and in vivo. Toxicol Mech Methods. 2010 Feb;20(2):90-5.

  [2]. Mota-Filipe H, et al. The novel PARP inhibitor 5-aminoisoquinolinone reduces the liver injury caused by ischemia and reperfusion in the rat. Med Sci Monit. 2002 Nov;8(11):BR444-53.

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 5-Amino-2h-isoquinolin-1-one Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:5-Amino-2h-isoquinolin-1-one CAS number:93117-08-9 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:C9H8N2O Molecular weight:160.2 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

安全

• 海关编码: 2933790090

合成路线

82827-08-5 ~89% 93117-08-9

文献：Rehwinkel, Hartmut; Baeurle, Stefan; Berger, Markus; Schmees, Norbert; Schaecke, Heike; Krolikiewicz, Konrad; Mengel, Anne; Nguyen, Duy; Jaroch, Stefan; Skuballa, Werner Patent: US2005/131226 A1, 2005 ; Location in patent: Page/Page column 8-9 ;

82827-08-5 7440-44-0 ~% 93117-08-9

文献：US5177075 A1, ;

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海关

海关编码	2933790090
中文概述	2933790090 其他内酰胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:9.0% 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	2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%