86770-74-3

• 常用中文名：1-氨基-3,6,9-三噁-11-十一醇
• 常用英文名：Amino-PEG4-alcohol
• CAS号：86770-74-3
• 分子式：C₈H₁₉NO₄
• 分子量：193.241
• 相关类别： 信号通路 抗体- 药物偶联物 ADC连接器
• 发布时间：2018-12-17 19:34:05
• 更新时间：2024-01-02 19:06:11
• Amino-PEG4-alcohol 是一种基于 PEG 的 PROTAC linker,可以用于合成 PROTAC。Amino-PEG4-alcohol 也是一个不可降解的 ADC linker,用于抗体药物结合物 (ADC) 的合成。

名称

• 中文名: 1-氨基-3,6,9-三噁-11-十一醇
• 英文名: 2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethanol
• 英文别名: 2-{2-[2-(2-Aminoethoxy)ethoxy]ethoxy}ethanol; 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol; Ethanol, 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 301.6±27.0 °C at 760 mmHg
• 分子式: C₈H₁₉NO₄
• 分子量: 193.241
• 闪点: 136.2±23.7 °C
• 精确质量: 193.131409
• PSA: 73.94000
• LogP: -2.09
• 外观性状: 淡黄色油状
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.459
• 储存条件: 2-8℃，干燥，通风良好

生物活性

• 描述: Amino-PEG4-alcohol 是一种基于 PEG 的 PROTAC linker,可以用于合成 PROTAC。Amino-PEG4-alcohol 也是一个不可降解的 ADC linker,用于抗体药物结合物 (ADC) 的合成。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 抗体- 药物偶联物 >> ADC连接器
  信号通路 >> 蛋白裂解靶向嵌合体 >> PROTAC Linker
• 靶点:

  PEGs

  Non-cleavable

• 体外研究: PROTACs包含两种不同的配体,它们通过连接体连接；一种是E3泛素连接酶的配体,另一种是靶蛋白的配体。PROTACs利用细胞内泛素-蛋白酶体系统选择性降解靶蛋白[1]。ADC由抗体组成,抗体通过ADC连接体连接ADC细胞毒素[2]。
• 参考文献:

  [1]. Nello Mainolfi, et al. Protein degraders and uses thereof. WO2019060742A1.

  [2]. Miller MA, et al. Modular Nanoparticulate Prodrug Design Enables Efficient Treatment of Solid Tumors Using Bioorthogonal Activation. ACS Nano. 2018 Dec 26;12(12):12814-12826.

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 1-Amino-3,6,9-trioxaundecanyl-11-ol Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:1-Amino-3,6,9-trioxaundecanyl-11-ol CAS number:86770-74-3 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:C8H19NO4 Molecular weight:193.2 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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : KJ6137500 CHEMICAL NAME : Ethanol, 2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)- CAS REGISTRY NUMBER : 86770-74-3 LAST UPDATED : 199712 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C8-H19-N-O4 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >8 gm/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - dermatitis, other (after systemic exposure) REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570546

安全

• 海关编码: 2922509090

合成路线

上下游产品

上游产品  9
86770-67-4 112-60-7 77544-60-6 7732-18-5
106984-09-2 65883-12-7 86770-71-0 86259-87-2
105891-51-8
下游产品  2
106984-09-2 437655-95-3

海关

海关编码	2922509090
中文概述	2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件：AB. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary	2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%