美喷酯 | 25990-43-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 美喷酯
• 英文名称: mepenzolate
• 英文别名: Mepenzolat；Mepenzolic acid；(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate
• CAS: 25990-43-6
• 化学式: C₂₁H₂₆NO₃
• 分子量: 340.442
• InChiKey: GKNPSSNBBWDAGH-UHFFFAOYSA-N

物化性质

• 沸点：
  bp0.03 175-176°
• 物理描述：
  Solid
• 溶解度：
  6.27e-04 g/L

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

ADMET

毒理性

• 肝毒性

与其他抗胆碱能药物一样，美潘唑olate尚未与肝酶升高或临床上明显的肝损伤病例相联系。美潘唑olate的代谢尚未完全明确，但很可能在肝脏中代谢。 关于抗胆碱能药物的安全性和潜在肝毒性的参考资料，在抗胆碱能药物概述部分之后给出。 药物类别：抗胆碱能药物

Like other anticholinergic agents, mepenzolate has not been linked to episodes of liver enzyme elevations or clinically apparent liver injury. The metabolism of mepenzolate is not well defined, but it is likely metabolized by the liver. References on the safety and potential hepatotoxicity of anticholinergics are given together after the Overview section on Anticholinergic Agents. Drug Class: Anticholinergic Agents

来源:LiverTox

毒理性

• 药物性肝损伤

化合物：美潘唑olate

Compound:mepenzolate

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 药物性肝损伤

DILI 注解：无 DILI（药物性肝损伤）担忧

DILI Annotation:No-DILI-Concern

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 药物性肝损伤

标签部分：没有匹配项

Label Section:No match

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

毒理性

• 药物性肝损伤

参考文献：M Chen, V Vijay, Q Shi, Z Liu, H Fang, W Tong. 用于研究药物诱导肝损伤的FDA批准药物标签，药物发现今日，16(15-16):697-703, 2011. PMID:21624500 DOI:10.1016/j.drudis.2011.05.007 M Chen, A Suzuki, S Thakkar, K Yu, C Hu, W Tong. DILIrank：按在人类中发展药物诱导肝损伤风险排名的最大参考药物清单。药物发现今日2016, 21(4): 648-653. PMID:26948801 DOI:10.1016/j.drudis.2016.02.015

References:M Chen, V Vijay, Q Shi, Z Liu, H Fang, W Tong. FDA-Approved Drug Labeling for the Study of Drug-Induced Liver Injury, Drug Discovery Today, 16(15-16):697-703, 2011. PMID:21624500 DOI:10.1016/j.drudis.2011.05.007 M Chen, A Suzuki, S Thakkar, K Yu, C Hu, W Tong. DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans. Drug Discov Today 2016, 21(4): 648-653. PMID:26948801 DOI:10.1016/j.drudis.2016.02.015

来源:Drug Induced Liver Injury Rank (DILIrank) Dataset

吸收、分配和排泄

• 吸收

在5天的时间里，口服剂量的3%到22%会通过尿液排出，大部分的放射性物质会在第1天出现。其余部分会在接下来的5天通过粪便排出，并且可能没有被吸收。

Between 3 and 22% of an orally administered dose is excreted in the urine over a 5-day period, with the majority of the radioactivity appearing on Day 1. The remainder appears in the next 5 days in the feces and presumably has not been absorbed.

来源:DrugBank

吸收、分配和排泄

• 消除途径

在5天内，口服给药剂量的3%到22%会通过尿液排出，大部分放射性物质出现在第1天。

Between 3 and 22% of an orally administered dose is excreted in the urine over a 5-day period, with the majority of the radioactivity appearing on Day 1.

来源:DrugBank

文献信息

• USE OF PARASYMPATHOLYTIC SUBSTANCES TO ENHANCE AND ACCELERATE STEM CELL DIFFERENTIATION, RELATED METHODS AND COMPOSITIONS
  申请人：Ponzetto Antonio

  公开号：US20100130544A1

  公开（公告）日：2010-05-27

  The invention refers to the in vitro and in vivo use of parasympatholytic substances, preferably scopolamine, to potentiate and accelerate the differentiation of stem cells into cells with a tissue-specific phenotype, and the process and compositions related thereto.
• NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS
  申请人：SPHAERA PHARMA PVT. LTD.

  公开号：US20170183305A1

  公开（公告）日：2017-06-29

  The present invention relates to novel compounds of formula (1): The present invention also discloses compounds of formula (1) along with other pharmaceutical acceptable excipients and use of the compounds as anti-tubercular agents.
• [EN] NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS<br/>[FR] NOUVEAUX COMPOSÉS UTILISÉS COMME AGENTS ANTI-TUBERCULEUX
  申请人：SPHAERA PHARMA PRIVATE LTD

  公开号：WO2015181837A2

  公开（公告）日：2015-12-03

  The present invention relates to novel compounds of formula (1): The present invention also discloses compounds of formula (1) along with other pharmaceutical acceptable excipients and use of the compounds as anti-tubercular agents.