ecstasy hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: ecstasy hydrochloride
• 英文别名: MDMA hydrochloride；(+/-)-3,4-methylenedioxymethamphetamine hydrochloride；(±)-3,4-methylenedioxymethamphetamine hydrochloride；1-(benzo[d][1,3]dioxol-5-yl)-N-methylpropan-2-amine hydrochloride；3,4-methylenedioxymethamphetamine；Methylenedioxymethamphetamine hydrochloride；1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydron;chloride
• 化学式: C₁₁H₁₅NO₂*ClH
• 分子量: 229.707
• InChiKey: LUWHVONVCYWRMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.99
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  30.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  溴乙酸甲酯 、 ecstasy hydrochloride 在 sodium hydride 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 4.33h， 以92%的产率得到Methyl 2-[1-(1,3-benzodioxol-5-yl)propan-2-yl-methylamino]acetate
  参考文献：
  名称：

  [EN] ASSAY FOR ENTACTOGENS
  [FR] ESSAI D'ENTACTOGENES

  摘要：

  揭示了方法、组合物和试剂盒。这些方法旨在确定致幻药物分析物的存在，例如3,4-亚甲二氧苯丙胺（MDA）、3,4-亚甲二氧甲基苯丙胺（MDMA）、3,4-亚甲二氧乙基苯丙胺（MDEA）和4-羟基-3-甲氧基苯丙胺（HMMA）。该方法包括在介质中组合提供（i）疑似含有该化合物的样品和（ii）针对包含蛋白质的化合物的I式的抗体。检查介质是否存在包含该化合物和抗体的复合物，其中这种复合物的存在表明样品中存在该化合物。在上述实施例的一个方面，该组合进一步包括化合物I式的标记结合物。

  公开号：

  WO2005058864A1
• 作为产物：
  描述：

  3,4-亚甲二氧基-1-苯基-2-硝基丙烯 在 盐酸 、 铁粉 、 溶剂黄146 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 36.0h， 生成 ecstasy hydrochloride
  参考文献：
  名称：

  [EN] IMPROVED METHOD OF SYNTHESIS OF 1-(3',4'-METHYLENE DIOXYPHENYL)-2-(METHYLAMINO) PROPANE (MDMA)
  [FR] PROCÉDÉ AMÉLIORÉ DE SYNTHÈSE DU 1-(3',4'-MÉTHYLÈNEDIOXYPHÉNYL)-2-(MÉTHYLAMINO)PROPANE (MDMA)

  摘要：

  The present invention relates to an improved method of synthesis of 1-(3',4'-methylenedioxyphenyl)-2-(methylamino)propane (MDMA) that is of sufficient purity that it can be used for pharmaceutical applications. In particular the present invention provides a method of synthesising MDMA comprising the steps of (a) condensation of piperonal and nitroethane in the presence of a catalysing base to form 1-(3',4'-methylenedioxyphenyl)-2-nitroprop-1-ene (MDP-2-nitropropene), (b) oxidative hydrolysis of MDP-2-nitropropene to form 1-(3',4'methylenedioxyphenyl)-propan-2-one (MDP2P), and (c) reductive amination of MDP2P to 1-(3',4'-methylenedioxyphenyl)-2-(methylamino)propane (MDMA).

  公开号：

  WO2023019298A1

文献信息

• Developing Amphetamine Certified Reference Materials: From Batch and Continuous‐Flow Synthesis to Certification Protocol
  作者：Thais G. Silva、Rodrigo O. M. A. de Souza、Bruno C. Garrido、Eliane C. P. do Rego、Wagner Wollinger、Fernanda G. Finelli

  DOI：10.1002/cplu.202300384

  日期：2023.10

  Development of a comprehensive protocol for the production of Certified Reference Materials (CRM) of amphetamine and related compounds from a simple, rapid, and efficient synthesis under batch and continuous-flow conditions are reported in this work, accompanied by the establishment of a certification procedure for these materials through identity checking, homogeneity, stability, and characterization

  这项工作报告了在批量和连续流动条件下通过简单、快速、高效的合成生产安非他明和相关化合物的有证标准物质 (CRM) 的综合方案的开发，并建立了认证程序通过身份检查、同质性、稳定性和表征研究对这些材料进行研究。
• Toxicity of the 3,4-Methylenedioxymethamphetamine and Its Enantiomers to Daphnia magna after Isolation by Semipreparative Chromatography
  作者：Ana Rita Costa、Virgínia M. F. Gonçalves、Bruno B. Castro、João Soares Carrola、Ivan Langa、Ariana Pereira、Ana Rita Carvalho、Maria Elizabeth Tiritan、Cláudia Ribeiro

  DOI：10.3390/molecules28031457

  日期：——

  chromatography using a homemade semipreparative chiral column. Daphnids were exposed to three concentrations of (R,S)-MDMA (0.1, 1.0 and 10.0 µg L-1) and two concentrations of (R)- and (S)-enantiomers (0.1 and 1.0 µg L-1) over the course of 8 days. Morphophysiological responses were dependent on the substance form and daphnia development stage, and they were overall not affected by the (R)-enantiomer. Changes

  MDMA（3,4-亚甲二氧基甲基苯丙胺）是一种手性精神活性消遣药物，在非法市场上作为外消旋体出售。关于 MDMA 对水生生物影响的研究很少。虽然已经报道了动物和人类毒性的对映选择性，但没有关于水生生物的报道。本研究旨在研究 MDMA 及其对映异构体对大型蚤的生态毒理学效应。为此，使用自制的半制备手性柱通过液相色谱法分离对映体（对映体纯度 > 97%）。水蚤暴露于三种浓度的 (R,S)-MDMA（0.1、1.0 和 10.0 µg L-1）和两种浓度的 (R)- 和 (S)- 对映体（0.1 和 1.0 µg L-1）疗程8天。形态生理反应取决于物质形式和水溞发育阶段，并且它们总体上不受 (R)- 对映异构体的影响。观察到外消旋体及其对映体的游泳行为发生变化，但未观察到对映体选择性效应。未观察到对映体的生殖或生化变化，而在 (R,S)-MDMA (10 µg L-1) 的最高浓度下，乙酰胆碱
• US2024/18117
  申请人：——

  公开号：——

  公开（公告）日：——
• Antiparkinsonian Action of Phenylisopropylamines
  申请人：Caron G. Marc

  公开号：US20070027208A1

  公开（公告）日：2007-02-01

  A method of treating a subject for Parkinson's disease comprises administering said subject a phenylisopropylamine in an amount effective to treat said Parkinson's disease. In some embodiments the method is used to treat at least a motor symptom of Parkinson's disease; in some embodiments the method is used to treat at least a non-motor symptom of Parkinson's disease.
• NOVEL MARKERS FOR DIAGNOSING BRAIN DISEASE CAUSED BY BRAIN INJURY AND USE THEREOF
  申请人：NAM Suk Woo

  公开号：US20110236897A1

  公开（公告）日：2011-09-29

  The present invention relates to novel markers for diagnosing brain disease caused by brain injury and the use thereof. More particularly, the present invention relates to novel diagnostic markers for brain disease caused by brain injury, which are identified by administering an MDMA drug, a diagnostic composition for brain disease caused by brain injury, a kit, a microarray, and a method for diagnosing brain disease caused by brain injury using the same, and relates to a method for screening a material for preventing or treating brain disease and a composition for preventing or treating brain disease caused by brain injury including the material. It was found that the expression amount of the marker genes of the present invention in tissues or cells of a patient with brain injury was over-expressed or under-expressed compared with that in normal tissues or cells. Thus, when used as diagnostic markers for brain disease caused by brain injury, the marker genes of the present invention can quickly and accurately diagnose and predict brain disease caused by brain injury at an early stage, and, particularly, can diagnose and predict brain disease caused by brain injury, which could be induced by an MDMA drug in the next generation.