587-63-3

• 常用中文名：二氢醉椒素
• 常用英文名：Dihydrokavain
• CAS号：587-63-3
• 分子式：C₁₄H₁₆O₃
• 分子量：232.275
• 相关类别： 分析化学 标准品 分析标准品
• 发布时间：2018-05-03 08:00:00
• 更新时间：2024-01-02 21:39:45
• Dihydrokavain是一天然化合物,抗焦虑活性。

名称

• 中文名: 二氢醉椒素
• 英文名: (S)-(+)-7,8-Dihydrokavain
• 中文别名: 4-甲氧基-6-苯乙基-5,6-二氢吡喃-2-酮
• 英文别名: 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethyl)-; 4-Methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one; Dihydrokavain; dihydrokawain; 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6- (2-phenylethyl)-, (S)-; (6S)-4-Methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one; 5,6-Dihydro-4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one; 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (6S)-

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 413.6±45.0 °C at 760 mmHg
• 熔点: 56-60ºC
• 分子式: C₁₄H₁₆O₃
• 分子量: 232.275
• 闪点: 175.6±23.3 °C
• 精确质量: 232.109940
• PSA: 35.53000
• LogP: 1.95
• 外观性状: 白色粉末
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.544
• 储存条件: -20℃
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.8

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积:35.5

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:290

  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:1

  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: Dihydrokavain是一天然化合物,抗焦虑活性。
• 相关类别:
  信号通路 >> 其他 >> 其他
  天然产物 >> 其他
  研究领域 >> 其他
• 参考文献:

  [1]. Feltenstein MW, et al. Anxiolytic properties of Piper methysticum extract samples and fractions in the chick social-separation-stress procedure. Phytother Res. 2003 Mar;17(3):210-6.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UQ0517700 CHEMICAL NAME : 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-phenethyl- CAS REGISTRY NUMBER : 587-63-3 LAST UPDATED : 199206 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C14-H16-O3 MOLECULAR WEIGHT : 232.30 WISWESSER LINE NOTATION : T6OV CUTJ DO1 F1U1R HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 920 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 138,505,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 325 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 138,505,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 53 mg/kg TOXIC EFFECTS : Behavioral - anticonvulsant REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 177,261,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Mammal - dog DOSE/DURATION : >200 mg/kg TOXIC EFFECTS : Behavioral - muscle weakness Behavioral - muscle contraction or spasticity Gastrointestinal - nausea or vomiting REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 138,505,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Mammal - cat DOSE/DURATION : >250 mg/kg TOXIC EFFECTS : Behavioral - muscle weakness Behavioral - muscle contraction or spasticity Gastrointestinal - nausea or vomiting REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 138,505,1962 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 350 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - other changes REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 138,505,1962

安全

• 危险品运输编码: NONH for all modes of transport

合成路线

上下游产品

上游产品  8
77-78-1 182950-96-5 30414-58-5 1449-46-3
152203-65-1 100-39-0 35217-21-1 862464-32-2
下游产品  0