2763-96-4

• 常用中文名：蝇蕈醇
• 常用英文名：Muscimol
• CAS号：2763-96-4
• 分子式：C₄H₆N₂O₂
• 分子量：114.103
• 发布时间：2018-02-28 08:00:00
• 更新时间：2024-01-06 20:58:18
• 毒蕈碱(Agarin)是一种精神活性异恶唑,是一种选择性神经递质GABA激动剂。毒蕈碱在高亲和力和低亲和力位点(Kd分别为10和270 nM)结合GABAA,以200 nM的EC50值刺激氯离子流出。毒蕈碱通过血脑屏障(BBB)并具有破坏记忆的作用[1]。

名称

• 中文名: 蝇蕈醇
• 英文名: muscimol
• 中文别名: 5-(氨甲基)-3-羟基-异恶唑
• 英文别名: 5-(aminomethyl)-1,2-oxazol-3-one; 5-Aminomethyl-3-hydroxy-isoxazol; PANTHERINE; 5-(Aminomethyl)isoxazol-3(2H)-one; Agarine; 5-Aminomethyl-3-hydroxyisoxazole; UNII:D5M179TY2E; 3(2H)-Isoxazolone, 5-(aminomethyl)-; 3-Hydroxy-5-aminomethylisoxazole; MFCD00057894; 5-aminomethyl-isoxazol-3-one; Agarin; EINECS 220-430-4; 5-(Aminomethyl)-1,2-oxazol-3(2H)-one; Pantherin; 3-Hydroxy-5-aminomethyl-isoxazole 5-Aminomethyl-3-hydroxy-isoxazole 5-Aminomethyl-3-isoxazolol

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 325.0±27.0 °C at 760 mmHg
• 熔点: 175-176ºC
• 分子式: C₄H₆N₂O₂
• 分子量: 114.103
• 闪点: 150.4±23.7 °C
• 精确质量: 114.042931
• PSA: 72.28000
• LogP: -0.93
• 外观性状: 白色至灰白色粉末
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.556
• 储存条件:

  密闭于2-8 ºC阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：26.74

  2、 摩尔体积（m³/mol）：88.3

  3、 等张比容（90.2K）：227.9

  4、 表面张力（dyne/cm）：44.3

  5、 极化率（10^-24cm³）：10.60

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-1.4

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积64.4

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:141

  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

• 更多:

  1. 性状：白色至类白色粉末

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：175-176

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：溶于乙醇

生物活性

• 描述: 毒蕈碱(Agarin)是一种精神活性异恶唑,是一种选择性神经递质GABA激动剂。毒蕈碱在高亲和力和低亲和力位点(Kd分别为10和270 nM)结合GABAA,以200 nM的EC50值刺激氯离子流出。毒蕈碱通过血脑屏障(BBB)并具有破坏记忆的作用[1]。
• 相关类别:
  信号通路 >> 跨膜转运 >> GABA受体
  研究领域 >> 神经疾病
  信号通路 >> 神经信号通路 >> GABA受体
• 参考文献:

  [1]. S M Dunn, et al. Reconstitution of purified GABAA receptors: ligand binding and chloride transporting properties. Biochemistry. 1994 Jan 25;33(3):755-63.

  [2]. Donna R Ramirez, et al. The role of the GABA(A) agonist muscimol on memory performance: reward contingencies determine the nature of the deficit. Neurobiol Learn Mem. 2005 Nov;84(3):184-91.

  [3]. M Irifune, et al. Propofol anaesthesia in mice is potentiated by muscimol and reversed by bicuculline. Br J Anaesth. 1999 Oct;83(4):665-7.

MSDS

Name: Muscimol hydrate 98+% Material Safety Data Sheet Synonym: 5-(Aminomethyl)-3-Isoxazolol; 5-Aminomethyl-3-Hydroxyisoxazole CAS: 2763-96-4 Section 1 - Chemical Product MSDS Name:Muscimol hydrate 98+% Material Safety Data Sheet Synonym:5-(Aminomethyl)-3-Isoxazolol; 5-Aminomethyl-3-Hydroxyisoxazole Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2763-96-4 Muscimol 98+% 220-430-4 Hazard Symbols: T Risk Phrases: 23/24/25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Toxic by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.Highly toxic. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May be fatal if swallowed. 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 immediately. 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. Use water spray, dry chemical, carbon dioxide, or appropriate 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. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2763-96-4: 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: 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: Powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 150 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C4H6N2O2.xH2O Molecular Weight: 114.10 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: Acid chlorides, acid anhydrides, strong acids, strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2763-96-4: NY3325000 LD50/LC50: CAS# 2763-96-4: Oral, mouse: LD50 = 22 mg/kg; Oral, rat: LD50 = 45 mg/kg. Carcinogenicity: Muscimol - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. USA RQ: CAS# 2763-96-4: 1000 lb final RQ; 454 kg final RQ Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24/25 Toxic by inhalation, in contact with skin and if swallowed. Safety Phrases: S 23 Do not inhale gas/fumes/vapour/spray. S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 2763-96-4: 3 Canada CAS# 2763-96-4 is listed on Canada's NDSL List. CAS# 2763-96-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2763-96-4 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 。 试验方法：未报告 摄入剂量： 109微克/千克 测试对象：人力 毒性类型：急性 毒性作用： 1.睡眠 2.幻觉，扭曲的观念 3.恶心或呕吐 2 。 试验方法：口服 摄入剂量： 45毫克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用： 详细的毒副作用没有报告以外的其他致死剂量值 3 。 试验方法：静脉 摄入剂量： 4500微克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用：详细的毒副作用没有报告以外的其他致死剂量值 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : NY3325000 CHEMICAL NAME : 3-Isoxazolol, 5-(aminomethyl)- CAS REGISTRY NUMBER : 2763-96-4 LAST UPDATED : 199701 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C4-H6-N2-O2 MOLECULAR WEIGHT : 114.12 WISWESSER LINE NOTATION : T5NOJ C1Z EQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Human DOSE/DURATION : 109 ug/kg TOXIC EFFECTS : Behavioral - sleep Behavioral - hallucinations, distorted perceptions Gastrointestinal - nausea or vomiting REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 45 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 4500 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 22 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0000338 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 2500 ug/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3800 ug/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 5620 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11824 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 10 mg/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H300
• 警示性声明: P264-P301 + P310
• 个人防护装备: Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
• 危害码 (欧洲): T: Toxic;
• 风险声明 (欧洲): 25
• 安全声明 (欧洲): S22;S45;S36/S37/S39
• 危险品运输编码: UN 1544 6.1/PG 2
• WGK德国: 3
• RTECS号: NY3345000
• 包装等级: II
• 危险类别: 6.1(a)
• 海关编码: 2934999090

合成路线

2682-41-9 ~65% 66471-24-7 2763-96-4

文献：McCarry; Savard Tetrahedron Letters, 1981 , vol. 22, # 51 p. 5153 - 5156

2682-41-9 ~33% 2763-96-4

文献：Konda; Takahashi; Onda Chemical and Pharmaceutical Bulletin, 1985 , vol. 33, # 3 p. 1083 - 1087

2763-94-2 ~60% 2763-96-4

文献：Pevarello; Varasi Synthetic Communications, 1992 , vol. 22, # 13 p. 1939 - 1948

87318-73-8 ~38% 2763-96-4

文献：Oster, Timothy A.; Harris, Thomas M. Journal of Organic Chemistry, 1983 , vol. 48, # 23 p. 4307 - 4311

2763-95-3 ~62% 2763-96-4

文献：Chiarino, D.; Napoletano, M.; Sala, A. Tetrahedron Letters, 1986 , vol. 27, # 27 p. 3181 - 3182

3579-03-1 ~51% 2763-96-4

文献：Jaeger; Frey 1982 , vol. No. 4, p. 817 - 820

62409-18-1 ~% 2763-96-4

文献：Welch, W. M. Synthetic Communications, 1982 , vol. 12, # 14 p. 1089 - 1091

73911-43-0 ~% 2763-96-4

文献：Nakamura, Norio; Tajima, Yawara; Sakai, Kiyoshi Heterocycles, 1982 , vol. 17, p. 235 - 245

上下游产品

上游产品  7
2682-41-9 2763-94-2 87318-73-8 2763-95-3
3579-03-1 62409-18-1 73911-43-0
下游产品  0

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%