1-(3H-1,2-苯并二噁唑-6-基)-N-甲基丁烷-1-胺 | 135795-90-3

• 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
• 中文名称: 1-(3H-1,2-苯并二噁唑-6-基)-N-甲基丁烷-1-胺
• 英文名称: MBDB
• 英文别名: N-methyl-1-(3,4-methylenedioxyphenyl)-2-butanamine；N-methyl-1-(1,3-benzodioxol-5-yl)-2-butanamine；1-(1,3-benzodioxol-5-yl)-N-methylbutan-2-amine
• CAS: 135795-90-3
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: USWVWJSAJAEEHQ-UHFFFAOYSA-N

物化性质

• 沸点：
  299.8±9.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Predicted)
• 碰撞截面：
  148.4 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)]
• 保留指数：
  1654.5;1611.1;1611.2

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3H-1,2-苯并二噁唑-6-基)-N-甲基丁烷-1-胺 、 七氟丁酸酐 以 乙酸乙酯 为溶剂， 反应 0.33h， 生成 3,4-(Methylenedioxy)phenyl-2-butanamine,n-heptafluorobutyryl-N-methyl-
  参考文献：
  名称：

  Negative-ion Chemical Ionization of Amphetamine Derivatives

  摘要：

  DOI：

  10.1002/(sici)1096-9888(199608)31:8<913::aid-jms375>3.0.co;2-u
• 作为产物：
  描述：

  1-(1,3-benzodioxol-5-yl)butan-1-ol 在 sodium hydroxide 、 potassium hydrogensulfate 、 过甲酸 、 aluminium amalgam 、 硫酸 作用下， 以 甲醇 、 水 、 异丙醇 、 丙酮 为溶剂， 反应 14.0h， 生成 1-(3H-1,2-苯并二噁唑-6-基)-N-甲基丁烷-1-胺
  参考文献：
  名称：

  Derivatives of 1-(1,3-benzodioxol-5-yl)-2-butanamine: representatives of a novel therapeutic class

  摘要：

  The alpha-ethyl phenethylamine derivative 1-(1,3-benzodioxol-5-yl)-2-butanamine was prepared. An asymmetric synthesis was used to prepare the enantiomers of this compound and the related alpha-methyl homologue (MDA). The racemates and enantiomers of both compounds were evaluated in the two-lever drug discrimination assay in rats trained to discriminate saline from 0.08 mg/kg of LSD tartrate. Stimulus generalization occurred with the racemate and the R-(-) enantiomer of the alpha-methyl homologue and the S-(+) enantiomer of the alpha-ethyl primary amine. No generalization occurred with the other enantiomers or with the N-methyl derivatives of either series. Human psychopharmacology studies revealed that the N-methyl derivative of the title compound was nonhallucinogenic and that it had a new, novel psychoactive effect. It is suggested that this compound is the prototype of a new pharmacologic class that may have value in facilitating psychotherapy and that this class be designated as entactogens.

  DOI：

  10.1021/jm00160a035

文献信息

• [EN] REAGENT FOR MASS SPECTROMETRY<br/>[FR] RÉACTIF POUR SPECTROMÉTRIE DE MASSE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2020020849A1

  公开（公告）日：2020-01-30

  The present invention relates to reagents which are suitable to be used in mass spectrometry as well as methods of mass spectrometric determination of analyte molecules using said reagents.

  本发明涉及适用于质谱的试剂，以及利用所述试剂进行分析物分子的质谱测定方法。
• Ecstasy-class analogs and use of same in detection of ecstasy-class compounds
  申请人：Microgenics Corporation

  公开号：US20030207469A1

  公开（公告）日：2003-11-06

  The present invention provides a system for the improved detection of ecstasy-class compounds in biological samples. New ecstasy-class analogs are provided for detection of such ecstasy-class drugs. These analogs are compounds, or salts thereof, of a 2-amino-methylenedioxyphenyl (MDP) derivative attached to Z, where Z is a moiety capable of bonding, either directly or indirectly, with an immunogenic carrier, a detectable label, or a solid capture vehicle. Such analogs may be used to construct immunogens, enzyme or enzyme-donor conjugates, and other conjugates. The immunogens reproducibly generate antibodies with an exquisite ability to distinguish various ecstasy-class drugs in biological samples from potentially interfering substances. The specific antibodies and the conjugates may be used to distinguish and measure various ecstasy-class compounds in biological samples, such as those obtained from an individual suspected of substance abuse. In another aspect, the invention includes certain reagents, reagent combinations, and kits for performing assay methods for ecstasy-class compounds in a biological sample.

  本发明提供了一种用于改善在生物样本中检测摇头丸类化合物的系统。提供了新的摇头丸类类似物，用于检测这类摇头丸类药物。这些类似物是2-氨基-亚甲二氧苯基（MDP）衍生物与Z结合的化合物或其盐，其中Z是能够与免疫原载体、可检测标记或固体捕获载体直接或间接结合的基团。这些类似物可用于构建免疫原、酶或酶给体结合物以及其他结合物。这些免疫原能够可靠地产生抗体，具有在生物样本中区分各种摇头丸类药物与潜在干扰物质的精细能力。这些特异抗体和结合物可用于区分和测量生物样本中的各种摇头丸类化合物，例如从涉嫌滥用物质的个体身上获得的样本。在另一方面，该发明还包括用于在生物样本中进行摇头丸类化合物测定的试剂、试剂组合和试剂盒的一些方面。
• [EN] PHENALKYLAMINES AND METHODS OF TREATING MOOD DISORDERS<br/>[FR] PHÉNALKYLAMINES ET PROCÉDÉS DE TRAITEMENT DE TROUBLES DE L'HUMEUR
  申请人：GILGAMESH PHARMACEUTICALS INC

  公开号：WO2022006186A1

  公开（公告）日：2022-01-06

  Phenalkylamines and methods of treating mood disorders with phenalkylamines. Also provided are pharmaceutical compositions that include phenalkylamines.

  Phenalkylamines和使用Phenalkylamines治疗情绪障碍的方法。还提供了包含Phenalkylamines的制药组合物。
• Immunoassay for the detection of amphetamines and derivatives thereof
  申请人：Roche Diagnostics GmbH

  公开号：EP1167976A2

  公开（公告）日：2002-01-02

  The present invention provides an immunoassay method for the highly sensitive detection of amphetamines, methamphetamines, and methylenedioxy designer amphetamines in urine samples. Commercially available reagents for the determination of amphetamines and methamphetamines are used with a calibrator comprising a known amount of a substance selected from the group consisting of methylenedioxy designer amphetamines.

  本发明提供了一种高灵敏度检测尿样中安非他明、甲基安非他明和亚甲二氧基特制安非他明的免疫测定方法。市售的苯丙胺和甲基苯丙胺检测试剂与校准物一起使用，校准物由已知量的选自亚甲基二氧苯丙胺的物质组成。
• Controlled release formulation with continuous efficacy
  申请人：Egalet Ltd.

  公开号：EP2700400A1

  公开（公告）日：2014-02-26

  The present invention relates to pharmaceutical compositions, which provide controlled release of a drug. The compositions are suitable for continuous administration as they remain effective throughout the treatment regimen. The present invention also relates to the use of the compositions for preparation of a medicament for continuous treatment of an individual.

  本发明涉及可控制药物释放的药物组合物。这些组合物适合连续给药，因为它们在整个治疗过程中都能保持有效。本发明还涉及使用这些组合物制备用于对个人进行连续治疗的药物。