62-97-5

• 常用中文名：甲硫二苯马尼
• 常用英文名：Diphenmanil (methylsulfate)
• CAS号：62-97-5
• 分子式：C₂₁H₂₇NO₄S
• 分子量：389.50800
• 相关类别： 生物化工 抑制剂 神经信号通路(Neuronal Signaling) AChR 拮抗剂
• 发布时间：2018-09-02 15:41:26
• 更新时间：2024-01-02 15:03:32
• Diphemanil硫酸二甲酯能结合毒蕈碱型乙酰胆碱受体进而降低胃酸,唾液和汗液的分泌排泄。

名称

• 中文名: 甲硫二苯马尼
• 英文名: diphemanil methylsulfate
• 中文别名: N,N-二甲基-4-哌啶亚基-1,1-二苯甲烷甲基硫酸盐; 吡拉西坦
• 英文别名: Talpran; Diphenmethanil; Nivelona; Demotil; DIPHEMANIL METHYLSULFATE; Diphemanil Methylsulfate; Variton; Diphemanil metilsulfate; Diphenmanil (methylsulfate); Diphemanil; 4-benzhydrylidene-1,1-dimethyl-piperidinium,methyl sulfate; 4-Benzhydryliden-1,1-dimethyl-piperidinium,Methylsulfat; 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium,methyl sulfate; Prantal; Nivelon

物化性质

• 熔点: 194-195ºC
• 分子式: C₂₁H₂₇NO₄S
• 分子量: 389.50800
• 精确质量: 389.16600
• PSA: 74.81000
• LogP: 4.49130
• 储存条件: 室温，干燥
• 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:4

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积:74.8

  7.重原子数量:27

  8.表面电荷:0

  9.复杂度:426

  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:2

生物活性

• 描述: Diphemanil硫酸二甲酯能结合毒蕈碱型乙酰胆碱受体进而降低胃酸,唾液和汗液的分泌排泄。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 由mAChR
  信号通路 >> 神经信号通路 >> mAChR
  研究领域 >> 内分泌
• 参考文献:

  [1]. Küng M, Diamond L. Effect of inhaled diphemanil methylsulfate, a parasympatholytic agent, on histamine induced bronchoconstriction in asymptomatic asthmatics. Ann Allergy. 1984 Jan;52(1):22-5.

  [2]. Vidal AM, Rey E, Pons G et al. Pharmacokinetics of diphemanil methylsulphate in healthy subjects. Eur J Clin Pharmacol. 1992;42(6):689-91.

  [3]. Vidal AM, Chéron G, Rey E et al. Pharmacokinetics of diphemanil methylsulphate in infants. Eur J Clin Pharmacol. 1993;45(1):89-91.

  [4]. Chéron G, Vidal AM, Rey E et al. [Pharmacokinetics of diphemanil methylsulfate in infants]. Arch Pediatr. 1994 Jan;1(1):33-7.

  [5]. Adamantidis M, Dumotier B, Caron J, Dupuis B. [Electrophysiologic effects and arrhythmogenic potential of diphemanil methylsulfate on rabbit purkinje fibers. Correlations with clinical observations of QT prolongation in pediatrics]. Arch Mal Coeur Vaiss.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TN5075000 CHEMICAL NAME : Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate CAS REGISTRY NUMBER : 62-97-5 LAST UPDATED : 199203 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C20-H24-N.C-H3-O4-S MOLECULAR WEIGHT : 389.55 WISWESSER LINE NOTATION : T6K DYTJ A1 A1 DUYR&R &WSO&O1 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 : 1107 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 78,576,1951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 23,461,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 317 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 78,576,1951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 47 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 78,576,1951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 4012 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value 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: 103,100,1955 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 42 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - other changes REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 78,576,1951 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 404 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 78,576,1951