170098-38-1

• 常用中文名：爱维莫潘
• 常用英文名：Alvimopan
• CAS号：170098-38-1
• 分子式：C₂₅H₃₆N₂O₆
• 分子量：460.563
• 相关类别： 信号通路 G 蛋白偶联受体/G 蛋白 阿片受体
• 发布时间：2018-09-15 07:38:26
• 更新时间：2024-01-11 19:35:29
• Alvimopan(LY 246736; ADL 8-2698)二水合物是新型的口服外周阿片样受体（PAM-OR）拮抗剂，IC50为1.7 nM。

名称

• 中文名: 爱维莫潘二水合物
• 英文名: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid,dihydrate
• 中文别名: 爱维莫潘杂质
• 英文别名: Alvimopan dihydrate; Alvimopan; N-{(2S)-2-Benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]propanoyl}glycine dihydrate; Glycine, N-[(2S)-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-oxo-2-(phenylmethyl)propyl]-, hydrate (1:2); Alvimopan (USAN); Adl 8-2698; Alvimopan anhydrous; UNII-677C126AET; Alvimopan hydrate; Entereg; Alvimopan (dihydrate)

物化性质

• 密度: 1.166g/cm3
• 沸点: 684.1ºC at 760mmHg
• 熔点: 210-213ºC
• 分子式: C₂₅H₃₆N₂O₆
• 分子量: 460.563
• 闪点: 367.5ºC
• 精确质量: 460.257324
• PSA: 108.33000
• LogP: 3.25160
• 外观性状: 粉末
• 蒸汽压: 1.18E-19mmHg at 25°C
• 折射率: 1.572
• 储存条件: -20℃

生物活性

• 描述: Alvimopan(LY 246736; ADL 8-2698)二水合物是新型的口服外周阿片样受体(PAM-OR)拮抗剂,IC50为1.7 nM。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 阿片受体
  信号通路 >> 神经信号通路 >> 阿片受体
  研究领域 >> 神经疾病
• 参考文献:

  [1]. NCBI BioAssay: 325959

  [2]. Cassel JA, et al. [(3)H]Alvimopan binding to the micro opioid receptor: comparative binding kinetics of opioid antagonists. Eur J Pharmacol. 2005 Sep 27;520(1-3):29-36.

  [3]. Viscusi ER, et al. Alvimopan, a peripherally acting mu-opioid receptor antagonist, compared with placebo in postoperative ileus after major abdominal surgery: results of a randomized, double-blind, controlled study. Surg Endosc. 2006 Jan;20(1):64-70.

  [4]. Fukuda H, et al. The selective mu opioid receptor antagonist, alvimopan, improves delayed GI transit of postoperative ileus in rats. Brain Res. 2006 Aug 2;1102(1):63-70.

  [5]. Delaney CP, et al. Phase III trial of alvimopan, a novel, peripherally acting, mu opioid antagonist, for postoperative ileus after major abdominal surgery. Dis Colon Rectum. 2005 Jun;48(6):1114-25; discussion 1125-6; author reply 1127-9.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : MC0595275 CHEMICAL NAME : Glycine, N-(2-((4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl )methyl)-1-oxo-3-phen ylpropyl)-,dihydrate, (3R-(1(S*),3-alpha,4-alpha))- CAS REGISTRY NUMBER : 170098-38-1 LAST UPDATED : 199606 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C25-H32-N2-O4.2H2-O MOLECULAR WEIGHT : 460.63 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 19,1078,1994 TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >20 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 19,1078,1994 TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 19,1078,1994