84-96-8

• 常用中文名：异丁嗪
• 常用英文名：Trimeprazine
• CAS号：84-96-8
• 分子式：C₁₈H₂₂N₂S
• 分子量：298.44600
• 相关类别： 原料药 抗变态反应药 抗组胺药
• 发布时间：2018-03-10 08:00:00
• 更新时间：2024-01-02 17:39:10
• Alimemazine 是通常用作止痒剂的吩噻嗪衍生物,也是血凝素 (HA)- 受体的拮抗剂。Alimemazine (Trimeprazine) 是也是针对组胺H1受体 (H1R) 和其他 GPCR 的部分激动剂。Alimemazine 具有镇静、抗血清素、抗痉挛和止吐作用。

名称

• 中文名: 异丁嗪
• 英文名: N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
• 中文别名: 阿利马嗪; N,N,2-三甲基-3-吩噻嗪-10-基-1-丙胺
• 英文别名: Methylpromazine; Isobutrazine; EINECS 201-577-3; Repetin; Alimemazine; N,N-dimethyl-N-<2-methyl-3-(10H-10-phenothiazinyl)propyl>amine; Alimezine; dl-Trimeprazine; Teralen; 10-[3-(dimethylamino)-2-methylpropyl]phenothiazine; Trimeprazine

物化性质

• 密度: 1.203 g/cm3
• 沸点: 420.3ºC at 760mmHg
• 熔点: 68°C
• 分子式: C₁₈H₂₂N₂S
• 分子量: 298.44600
• 闪点: 208ºC
• 精确质量: 298.15000
• PSA: 31.78000
• LogP: 4.55200
• 储存条件: 库房通风低温干燥,与食品原料分开存放
• 水溶解性: 0.942 mg/L
• 分子结构:

  1、 摩尔折射率：92.45

  2、 摩尔体积（cm³/mol）：267.8

  3、 等张比容（90.2K）：687.8

  4、 表面张力（dyne/cm）：43.4

  5、 极化率（10-24cm3）：36.65

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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31.8

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:311

  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

• 更多:

  1.熔点（℃）：68。

  2.水溶解性：0.942 mg/L 。

生物活性

• 描述: Alimemazine 是通常用作止痒剂的吩噻嗪衍生物,也是血凝素 (HA)- 受体的拮抗剂。Alimemazine (Trimeprazine) 是也是针对组胺H1受体 (H1R) 和其他 GPCR 的部分激动剂。Alimemazine 具有镇静、抗血清素、抗痉挛和止吐作用。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 炎症/免疫
  研究领域 >> 神经疾病
• 靶点:

  HA receptor[1]

• 参考文献:

  [1]. Singh B, et al. Bioanalytical method development and validation of alimemazine in human plasma by LC-MS/MS and its application in bioequivalence studies. J Pharm Bioallied Sci. 2013 Oct;5(4):257-64.

  [2]. Kuznetsova A, et al. Trimeprazine increases IRS2 in human islets and promotes pancreatic β cell growth and function in mice. JCI Insight. 2016;1(3).

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : SO5700000 CHEMICAL NAME : Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)- CAS REGISTRY NUMBER : 84-96-8 LAST UPDATED : 199512 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C18-H22-N2-S MOLECULAR WEIGHT : 298.48 WISWESSER LINE NOTATION : T C666 BN ISJ B1Y1&1N1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 210 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ANPBAZ Acta Neurologia et Psychiatrica Belgica. (Brussels, Belgium) V.48-69, 1948-69. For publisher information, see ANUBBR. Volume(issue)/page/year: 61,669,1961 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 35 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ANPBAZ Acta Neurologia et Psychiatrica Belgica. (Brussels, Belgium) V.48-69, 1948-69. For publisher information, see ANUBBR. Volume(issue)/page/year: 61,669,1961 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 300 mg/kg TOXIC EFFECTS : Behavioral - antipsychotic REFERENCE : DNEUD5 Developments in Neuroscience (Amsterdam). (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1977- Volume(issue)/page/year: 7,45,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 33 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4969 No. of Facilities: 32 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 333 (estimated) No. of Female Employees: 227 (estimated)

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin .
• 安全声明 (欧洲): S22:Do not breathe dust . S24/25:Avoid contact with skin and eyes . S36:Wear suitable protective clothing . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
• 危险品运输编码: 2811
• WGK德国: 3
• 包装等级: II
• 危险类别: 6.1(a)