3,4,5-三甲氧苯乙胺盐酸盐 | 832-92-8

• 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: 3,4,5-三甲氧苯乙胺盐酸盐
• 英文名称: mescaline hydrochloride
• 英文别名: 3,4,5-trimethoxyphenethylamine hydrochloride；mescaline；hydron;2-(3,4,5-trimethoxyphenyl)ethanamine;chloride
• CAS: 832-92-8
• 化学式: C₁₁H₁₇NO₃*ClH
• 分子量: 247.722
• InChiKey: FVZVSNDNKMOYKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.91
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  53.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4,5-三甲氧苯乙胺盐酸盐 在 硫酸 、 sodium nitrite 作用下， 生成 2-(3,4,5-三甲氧基苯基)乙醇
  参考文献：
  名称：

  Forecasting Generation of Urban Solid Waste in Developing Countries—A Case Study in Mexico

  摘要：

  Based on a study of the composition of urban solid waste (USW) and of socioeconomic variables in Morelia, Mexico, generation rates were estimated. In addition, the generation of residential solid waste (RSW) and nonresidential solid waste (NRSW) was forecasted by means of a multiple linear regression (MLR) analysis. For residential sources, the independent variables analyzed were monthly wages, persons per dwelling, age, and educational level of the heads of the household. For nonresidential sources, variables analyzed were number of employees, area of facilities, number of working days, and working hours per day. The forecasted values for residential waste were similar to those observed. This approach may be applied to areas in which available data are scarce, and in which there is an urgent need for the planning of adequate management of USW.

  DOI：

  10.1080/10473289.2001.10464258
• 作为产物：
  描述：

  3-(3,4,5-三甲氧基苯基)丙酸 在 叠氮磷酸二苯酯 、 palladium on activated charcoal 、 氢气 、 三乙胺 作用下， 以 甲醇 、 氯仿 、 苯 为溶剂， 反应 54.0h， 生成 3,4,5-三甲氧苯乙胺盐酸盐
  参考文献：
  名称：

  Synthesis and carbonic anhydrase inhibitory properties of sulfamides structurally related to dopamine

  摘要：

  A series of novel sulfamides incorporating the dopamine scaffold were synthesized. Reaction of amines and tert-butyl-alcohol/benzyl alcohol in the presence of chlorosulfonyl isocyanate (CSI) afforded sulfamoyl carbamates, which were converted to the title compounds by treatment with trifluoroacetic acid or by palladium-catalyzed hydrogenolysis. Inhibition of six alpha-carbonic anhydrases (CAs, EC 4.2.1.1), that is, CA I, CA II, CA VA, CA IX, CA XII and CA XIV, and two beta-CAs from Candida glabrata (CgCA) and Mycobacterium tuberculosis (Rv3588) with these sulfamides was investigated. All CA isozymes were inhibited in the low micromolar to nanomolar range by the dopamine sulfamide analogues. Kis were in the range of 0.061-1.822 mu M for CA I, 1.47-2.94 nM for CA II, 2.25-3.34 mu M for CA VA, 0.041-0.37 mu M for CA IX, 0.021-1.52 mu M for CA XII, 0.007-0.219 mu M for CA XIV, 0.35-5.31 mu M for CgCA and 0.465-4.29 mu M for Rv3588. The synthesized sulfamides may lead to inhibitors targeting medicinally relevant CA isoforms with potential applications as antiepileptic, antiobesity antitumor agents or anti-infective. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.03.077

文献信息

• Synthesis and Biological Evaluation of 1-Phenyl-1,2,3,4-dihydroisoquinoline Compounds as Tubulin Polymerization Inhibitors
  作者：Can-Hui Zheng、Jun Chen、Jia Liu、Xiao-Tian Zhou、Na Liu、Duo Shi、Jing-Jing Huang、Jia-Guo Lv、Ju Zhu、You-Jun Zhou

  DOI：10.1002/ardp.201100169

  日期：2012.6

  1‐phenyl‐1,2,3,4‐tetrahydroisoquinoline, 1‐phenyl‐isoquinoline analogues were synthesized, and their cytotoxicity and tubulin polymerization inhibitory activity were evaluated. The 1‐phenyl‐3,4‐dihydroisoquinoline compounds were found to be potential tubulin polymerization inhibitors. Compound 5n, bearing a 3′OH and 4′OCH3 substituted 1‐phenyl B‐ring, was shown to confer optimal bioactivity. The single‐crystal

  合成了一系列1-苯基-3,4-二氢异喹啉衍生物和几种1-苯基-1,2,3,4-四氢异喹啉、1-苯基-异喹啉类似物，并评价了它们的细胞毒性和微管蛋白聚合抑制活性。发现 1-苯基-3,4-二氢异喹啉化合物是潜在的微管蛋白聚合抑制剂。带有 3'OH 和 4'OCH3 取代的 1-苯基 B 环的化合物 5n 被证明具有最佳的生物活性。通过X射线衍射进一步确定了5n的单晶结构，通过分子对接获得了5n与微管蛋白的结合模式，可以解释构效关系。这里介绍的研究为开发新型抗肿瘤药物提供了一种新的结构类型。
• IMMUNOASSAY FOR PYRROLIDINOPHENONES
  申请人：Randox Laboratories Limited

  公开号：US20130210167A1

  公开（公告）日：2013-08-15

  The invention describes antibodies that bind molecules of the pyrrolidinophenone class of synthetic drugs. The antibodies are derived from novel chemical intermediates, haptens and immunogens and are used in methods and kits to detect and quantify pyrrolidinophenones.

  该发明描述了能够结合合成药物吡咯烷基苯酮类分子的抗体。这些抗体来源于新型化学中间体、半抗原和免疫原，并用于检测和定量吡咯烷基苯酮的方法和试剂盒中。
• [EN] COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS<br/>[FR] FORMULATIONS SALINES DE COMPOSÉS PHARMACEUTIQUES À BASE D'AGENTS COMPLEXANTS
  申请人：BEXSON BIOMEDICAL INC

  公开号：WO2022109050A1

  公开（公告）日：2022-05-27

  Provided herein are pharmaceutical formulations and pharmaceutical compound salts which utilize complexing agents as counterions. Such formulations and salts are useful for treating a variety of disease and disorders.

  本文提供了药物制剂和药物化合物盐，其使用络合剂作为反离子。这些制剂和盐对治疗各种疾病和障碍有用。
• Unraveling the In Vitro Toxicity Profile of Psychedelic 2C Phenethylamines and Their N-Benzylphenethylamine (NBOMe) Analogues
  作者：Daniel Martins、Eva Gil-Martins、Fernando Cagide、Catarina da Fonseca、Sofia Benfeito、Carlos Fernandes、Daniel Chavarria、Fernando Remião、Renata Silva、Fernanda Borges

  DOI：10.3390/ph16081158

  日期：——

  compounds with recognized and potent psychedelic effects, the NBOMe-drugs. Although they are prevalent in unregulated drug markets, their toxicity profile is still poorly understood, despite several reports highlighting cases of acute intoxication, with brain and liver toxicity. Thus, in this study, mescaline, 2C-N (insertion of a nitro in the para position of the 2C phenethylamines aromatic ring) and 2C-B

  麦斯卡林衍生物（2C 苯乙胺）药物通过引入 N-2-甲氧基苄基进行修饰，产生了一系列具有公认的有效致幻作用的新化合物，即 NBOMe 药物。尽管它们在不受监管的药品市场上很普遍，但它们的毒性特征仍然知之甚少，尽管有几份报告强调了急性中毒病例，具有脑和肝毒性。因此，在本研究中，麦司卡林、2C-N（在2C苯乙胺芳环的对位插入硝基）和2C-B（在2C苯乙胺芳环的对位插入溴化物）及其相应的合成了 NBOMe 对应物麦斯卡林-NBOMe、25N-NBOMe 和 25B-NBOMe，并分别在分化的 SH-SY5Y 和 HepG2 细胞系中评估了体外神经和肝细胞毒性。进行了细胞毒性、氧化应激、代谢和能量研究，以评估涉及其毒性的主要途径。我们的结果表明，N-2-甲氧基苄基的存在显着增加了 2C 苯乙胺类药物在两种细胞系中的体外细胞毒性，与同类药物相比，NBOMe 药物的 EC50 值较低。一致地，我们的数据显示药物的亲脂性和
• Complexing agent salt formulations of pharmaceutical compounds
  申请人：Bexson Biomedical, Inc.

  公开号：US11534454B2

  公开（公告）日：2022-12-27

  Provided herein are pharmaceutical formulations and pharmaceutical compound salts which utilize complexing agents as counterions. Such formulations and salts are useful for treating a variety of disease and disorders.

  本文提供了利用络合剂作为反离子的药物制剂和药物化合物盐。这些制剂和盐类可用于治疗各种疾病和失调。