306935-41-1

• 常用中文名：1-异丙基1,2,3-苯并三唑-5-羧酸
• 常用英文名：1-Isopropyl-1H-benzotriazole-5-carboxylic acid
• CAS号：306935-41-1
• 分子式：C₁₀H₁₁N₃O₂
• 分子量：205.213
• 相关类别： 信号通路 G 蛋白偶联受体/G 蛋白 GPR109A
• 发布时间：2018-12-18 11:59:31
• 更新时间：2024-04-05 09:45:24
• GPR109受体激动剂-1(化合物3a)是人类孤儿G蛋白偶联受体GPR109b的高选择性激动剂,pEC50为6.4。GPR109-受体激动剂-1可用于心脏代谢疾病的研究[1]。

名称

• 中文名: 1-异丙基-1H-1,2,3-苯并噻唑-5-羧酸
• 英文名: 1-propan-2-ylbenzotriazole-5-carboxylic acid
• 中文别名: 1-异丙基-1,2,3-苯并三唑-5-羧酸
• 英文别名: 1-Isopropyl-1H-benzotriazole-5-carb; oxylic acid; MFCD01570664; 1H-1,2,3-Benzotriazole-5-carboxylic acid, 1-(1-methylethyl)-; 1-(propan-2-yl)-1H-benzotriazole-5-carboxylic acid; 1-ISOPROPYL-1H-1,2,3-BENZOTRIAZOLE-5-CARBOXYLIC ACID; 1-Isopropyl-1H-benzotriazole-5-carboxylic acid; 1-Isopropylbenzotriazole-5-carboxylic acid; FSLLRY-NH2; 1-Isopropyl-1,2,3-benzotriazole-5-carboxylic acid

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 413.9±18.0 °C at 760 mmHg
• 熔点: 229-230ºC
• 分子式: C₁₀H₁₁N₃O₂
• 分子量: 205.213
• 闪点: 204.1±21.2 °C
• 精确质量: 205.085129
• PSA: 68.01000
• LogP: 2.05
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.655
• 储存条件: Store at RT

生物活性

• 描述: GPR109受体激动剂-1(化合物3a)是人类孤儿G蛋白偶联受体GPR109b的高选择性激动剂,pEC50为6.4。GPR109-受体激动剂-1可用于心脏代谢疾病的研究[1]。
• 相关类别:
  研究领域 >> 心血管疾病
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> GPR109A
  研究领域 >> 代谢疾病
• 靶点:

  pEC50: 6.40 ± 0.36 (GPR109b)[1]

• 参考文献:

  [1]. Graeme Semple, et al. 1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b. J Med Chem. 2006 Feb 23;49(4):1227-30.

MSDS

Name: 1-Isopropyl-1H-1 2 3-benzotriazole-5-carboxylic acid 97% Material Safety Data Sheet Synonym: CAS: 306935-41-1 Section 1 - Chemical Product MSDS Name:1-Isopropyl-1H-1 2 3-benzotriazole-5-carboxylic acid 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 306935-41-1 1-Isopropyl-1H-1,2,3-benzotriazole-5-c 97% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with 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: Treat symptomatically and supportively. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 306935-41-1: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 229 - 230 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: C10H11N3O2 Molecular Weight: 205 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 306935-41-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Isopropyl-1H-1,2,3-benzotriazole-5-carboxylic acid - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 306935-41-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 306935-41-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 306935-41-1 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): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 海关编码: 2933990090

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%
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	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%