100957-85-5

• 常用中文名：1-苄基-3-(叔丁基)-1H-吡唑-5-羧酸
• 常用英文名：SORT-PGRN interaction inhibitor 1
• CAS号：100957-85-5
• 分子式：C₁₅H₁₈N₂O₂
• 分子量：258.31600
• 相关类别： 信号通路 G 蛋白偶联受体/G 蛋白 神经降压素受体
• 发布时间：2019-01-01 16:57:42
• 更新时间：2024-01-09 15:36:09
• SORT-PGRN interaction inhibitor 1 是一种有效的 sortilin-progranulin 相互作用的抑制剂,IC50 为 2 μM。

名称

• 中文名: 1-苄基-3-叔丁基-1H-吡唑-5-羧酸
• 英文名: 2-benzyl-5-tert-butylpyrazole-3-carboxylic acid
• 英文别名: 2-benzyl-5-tert-butyl-2H-pyrazole-3-carboxylic acid

物化性质

• 密度: 1.12g/cm3
• 沸点: 438.4ºC at 760 mmHg
• 熔点: 126ºC
• 分子式: C₁₅H₁₈N₂O₂
• 分子量: 258.31600
• 闪点: 218.9ºC
• 精确质量: 258.13700
• PSA: 55.12000
• LogP: 2.92710
• 外观性状: 固体
• 蒸汽压: 1.85E-08mmHg at 25°C
• 折射率: 1.568
• 储存条件: 室温， 惰性气体

生物活性

• 描述: SORT-PGRN interaction inhibitor 1 是一种有效的 sortilin-progranulin 相互作用的抑制剂,IC50 为 2 μM。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 神经降压素受体
  研究领域 >> 神经疾病
• 靶点:

  IC50: 2 μM (Sortilin-progranulin interaction)[1]

• 体外研究: SORT-PGRN相互作用抑制剂1(化合物2),具有足够的效力和理化性质,能够与sortilin共结晶[1]。
• 参考文献:

  [1]. Shawn J Stachel, et al. Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg Med Chem Lett. 2020 Sep 1;30(17):127403.

MSDS

Name: 1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid 95+% Material Safety Data Sheet Synonym: CAS: 100957-85-5 Section 1 - Chemical Product MSDS Name:1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid 95+% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 100957-85-5 1-Benzyl-3-(tert-butyl)-1H-pyrazole-5- 95+% 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# 100957-85-5: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 123 - 126 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: C15H18N2O2 Molecular Weight: 258 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, reducing agents, bases, amines. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 100957-85-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Benzyl-3-(tert-butyl)-1H-pyrazole-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# 100957-85-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 100957-85-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 100957-85-5 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): R36/37/38
• 安全声明 (欧洲): S26
• 海关编码: 2933199090

海关

海关编码	2933199090
中文概述	2933199090. 其他结构上有非稠合吡唑环化合物. 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	2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%