5142-22-3

• 常用中文名：1-甲基腺嘌呤
• 常用英文名：1-Methyladenine
• CAS号：5142-22-3
• 分子式：C₆H₇N₅
• 分子量：149.15300
• 相关类别： 生物化工 核苷类药物 核苷酸及其类似物
• 发布时间：2018-06-10 11:37:10
• 更新时间：2024-01-05 17:27:57
• 1-Methyladenine是DNA中烷基化损伤的产物,可以通过氧化去甲基化的损伤逆转来修复。

名称

• 中文名: 1-甲基腺嘌呤
• 英文名: 1-methyladenine
• 英文别名: 1-METHYLADENINE; 1-Methyladenine

物化性质

• 密度: 1.6 g/cm3
• 沸点: 240.1ºC at 760 mmHg
• 熔点: > 300ºC
• 分子式: C₆H₇N₅
• 分子量: 149.15300
• 闪点: 99ºC
• 精确质量: 149.07000
• PSA: 69.62000
• LogP: 0.52670
• 外观性状: 淡黄色细结晶粉末
• 折射率: 1.807
• 储存条件: ?20°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.6

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:0

  5.互变异构体数量:3

  6.拓扑分子极性表面积:69.6

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:150

  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

生物活性

• 描述: 1-Methyladenine是DNA中烷基化损伤的产物,可以通过氧化去甲基化的损伤逆转来修复。
• 相关类别:
  天然产物 >> 其他
  研究领域 >> 其他
• 靶点:

  Human Endogenous Metabolite

• 参考文献:

  [1]. Falnes PØ, et al. Repair of 3-methylthymine and 1-methylguanine lesions by bacterial and human AlkB proteins. Nucleic Acids Res. 2004 Dec 1;32(21):6260-7. Print 2004.

  [2]. Yang H, et al. Effect of 1-methyladenine on double-helical DNA structures. FEBS Lett. 2008 May 14;582(11):1629-33.

MSDS

Name: 1-Methyladenine 99% Material Safety Data Sheet Synonym: None Known CAS: 5142-22-3 Section 1 - Chemical Product MSDS Name:1-Methyladenine 99% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5142-22-3 1-Methyladenine 99% 225-907-0 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 5142-22-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: > 300 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C6H7N5 Molecular Weight: 149.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5142-22-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Methyladenine - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 5142-22-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5142-22-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5142-22-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S24/25
• 海关编码: 2933990090

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海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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%
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Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%