4171-13-5

• 常用中文名：戊诺酰胺
• 常用英文名：Valnoctamide
• CAS号：4171-13-5
• 分子式：C₈H₁₇NO
• 分子量：143.22700
• 相关类别： 信号通路 跨膜转运 GABA受体
• 发布时间：2018-04-22 08:00:00
• 更新时间：2024-01-05 22:04:28
• Valnoctamide (Valmethamide) 是一种 Valproate 的衍生物,可用于治疗对苯二氮卓类药物有抗药性的癫痫。Valnoctamide (Valmethamide) 直接作用于 GABAA 受体。

名称

• 中文名: 戊诺酰胺
• 英文名: 2-ethyl-3-methyl-pentanamide Axiquel Nirvanil
• 英文别名: 2-ethyl-3-methylpentanamide; Valnoctamide

物化性质

• 密度: 0.883g/cm3
• 沸点: 274.4ºC at 760mmHg
• 熔点: 113.5-114ºC
• 分子式: C₈H₁₇NO
• 分子量: 143.22700
• 闪点: 119.8ºC
• 精确质量: 143.13100
• PSA: 43.09000
• LogP: 2.24430
• 折射率: 1.438

生物活性

• 描述: Valnoctamide (Valmethamide) 是一种 Valproate 的衍生物,可用于治疗对苯二氮卓类药物有抗药性的癫痫。Valnoctamide (Valmethamide) 直接作用于 GABAA 受体。
• 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
• 靶点:

  GABAA receptor[1]

• 参考文献:

  [1]. Spampanato J, et al. Valnoctamide enhances phasic inhibition: a potential target mechanism for the treatment of benzodiazepine-refractory status epilepticus. Epilepsia. 2014 Sep;55(9):e94-8.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : YV5950000 CHEMICAL NAME : Valeramide, 2-ethyl-3-methyl- CAS REGISTRY NUMBER : 4171-13-5 BEILSTEIN REFERENCE NO. : 1749434 LAST UPDATED : 199612 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C8-H17-N-O MOLECULAR WEIGHT : 143.26 WISWESSER LINE NOTATION : ZVY2&Y2&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 : 760 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,429,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 580 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,429,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 999 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - dyspnea REFERENCE : NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 62,404,1966 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 540 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,429,1972 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 700 mg/kg SEX/DURATION : female 6-12 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - abortion REFERENCE : CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 159,6,1965 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 600 mg/kg SEX/DURATION : female 6-8 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 159,6,1965

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302
• 危险品运输编码: NONH for all modes of transport
• RTECS号: YV5950000
• 海关编码: 2924199090

合成路线

82024-15-5 ~% 4171-13-5

文献：Kaufmann, Dan; Bialer, Meir; Shimshoni, Jakob Avi; Devor, Marshall; Yagen, Boris Journal of Medicinal Chemistry, 2009 , vol. 52, # 22 p. 7236 - 7248

125-40-6 ~% 4171-13-5

文献：Freifelder,M. et al. Journal of Organic Chemistry, 1961 , vol. 26, p. 203 - 206

105-43-1 ~% 4171-13-5

文献：Kaufmann, Dan; Yagen, Boris; Minert, Anne; Wlodarczyk, Bogdan; Finnell, Richard H.; Schurig, Volker; Devor, Marshall; Bialer, Meir Neuropharmacology, 2010 , vol. 58, # 8 p. 1228 - 1236

22414-77-3 ~% 4171-13-5

文献：Katznelson; Kondakowa Doklady Akademii Nauk SSSR, 1934 , p. II 24 Chem. Zentralbl., 1935 , vol. 106, # I p. 2521

4372-17-2 ~% 4171-13-5

文献：Katznelson; Kondakowa Doklady Akademii Nauk SSSR, 1934 , p. II 24 Chem. Zentralbl., 1935 , vol. 106, # I p. 2521

上下游产品

上游产品  5
82024-15-5 125-40-6 105-43-1 22414-77-3
4372-17-2
下游产品  0

海关

海关编码	2924199090
中文概述	2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 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:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%