1-(6-甲氧基苯并[1,3]二氧杂环戊烯-5-基)丙-2-胺 | 23693-18-7

• 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-(6-甲氧基苯并[1,3]二氧杂环戊烯-5-基)丙-2-胺
• 中文别名: 3-({2,6-二脱氧-4-O-[(2Z)-2-重氮基阳离子基-3-乙氧基-3-羟基丙-2-烯酰]六吡喃糖基-(1-&gt4)-2,6-二脱氧六吡喃糖基-(1-&gt4)-2,6-二脱氧六吡喃糖基}氧代)-14-羟基强心-20(22)-烯交酯
• 英文名称: 2-methoxy-4,5-(methylenedioxy)amphetamine
• 英文别名: MMDA-2；2-Methoxy-4,5-methylenedioxyamphetamine；1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-amine
• CAS: 23693-18-7
• 化学式: C₁₁H₁₅NO₃
• 分子量: 209.245
• InChiKey: GPVJAXJRAZVITB-UHFFFAOYSA-N

物化性质

• 沸点：
  304.7±37.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)
• 保留指数：
  1702

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 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：
  53.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099

文献信息

• [EN] COMPOSITIONS COMPRISING TRYPSIN-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF<br/>[FR] COMPOSITIONS COMPRENANT DES PROMÉDICAMENTS DE TYPE AMPHÉTAMINE CLIVABLES PAR TRYPSINE ET LEURS INHIBITEURS
  申请人：PHARMACOFORE INC

  公开号：WO2011133347A1

  公开（公告）日：2011-10-27

  Pharmaceutical compositions and their methods of use are provided, where the pharmaceutical compositions comprise an amphetamine prodrug that provides enzymatically-controlled release of amphetamine or an amphetamine analog. The composition can further comprise an enzyme inhibitor that interacts with the enzyme(s) that mediates the enzymatically-controlled release of amphetamine or the amphetamine analog from the amphetamine prodrug so as to attenuate enzymatic cleavage of the amphetamine prodrug.

  提供药物组合物及其使用方法，其中药物组合物包括一种苯丙胺前药，可提供苯丙胺或苯丙胺类似物的酶控释放。该组合物还可以包括一个酶抑制剂，与介导苯丙胺前药中的苯丙胺或苯丙胺类似物的酶相互作用，以减弱苯丙胺前药的酶解裂。
• COMPOSITIONS FOR REDUCING RISK OF ADVERSE EVENTS CAUSED BY DRUG-DRUG INTERACTIONS
  申请人：JENKINS Thomas E.

  公开号：US20120232066A1

  公开（公告）日：2012-09-13

  The present disclosure provides a composition comprising a GABA A agonist and a GI enzyme inhibitor. The present disclosure also provides a composition comprising (a) a GI enzyme inhibitor and (b) a first drug that interacts with a second drug to produce an adverse effect when the second drug is co-ingested as a GI enzyme-cleavable prodrug with the first drug. Such an interaction can be additive or synergistic.

  本公开提供一种包含GABAA激动剂和GI酶抑制剂的组合物。本公开还提供一种包含（a）GI酶抑制剂和（b）第一药物的组合物，当第二药物以GI酶可切割的前药形式与第一药物共同摄入时，第一药物与第二药物相互作用产生不良效应。这种相互作用可以是加成的或协同的。
• [EN] COMPOSITIONS COMPRISING ENZYME-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF<br/>[FR] COMPOSITIONS COMPRENANT DES PROMÉDICAMENTS DE TYPE AMPHÉTAMINE CLIVABLES PAR ENZYME ET LEURS INHIBITEURS
  申请人：PHARMACOFORE INC

  公开号：WO2011133348A1

  公开（公告）日：2011-10-27

  Pharmaceutical compositions and their methods of use are provided, where the pharmaceutical compositions comprise an amphetamine prodrug that provides enzymatically-controlled release of amphetamine or an amphetamine analog. The composition can further comprise an enzyme inhibitor that interacts with the enzyme(s) that mediates the enzymatically-controlled release of amphetamine or the amphetamine analog from the amphetamine prodrug so as to attenuate enzymatic cleavage of the amphetamine prodrug.

  提供了药物组合物及其使用方法，其中药物组合物包括一种苯丙胺前药，该前药提供苯丙胺或苯丙胺类似物的酶控释放。该组合物还可以包括一种酶抑制剂，与介导苯丙胺前药中的苯丙胺或苯丙胺类似物的酶相互作用，以减轻苯丙胺前药的酶催化裂解。
• Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof
  申请人：Jenkins Thomas E.

  公开号：US20130059914A1

  公开（公告）日：2013-03-07

  Pharmaceutical compositions and their methods of use are provided, where the pharmaceutical compositions comprise an amphetamine prodrug that provides enzymatically-controlled release of amphetamine or an amphetamine analog. The composition can further comprise an enzyme inhibitor that interacts with the enzyme(s) that mediates the enzymatically-controlled release of amphetamine or the amphetamine analog from the amphetamine prodrug so as to attenuate enzymatic cleavage of the amphetamine prodrug.

  提供了药物组合物及其使用方法，其中药物组合物包括一种苯丙胺前药，该前药提供酶控释放苯丙胺或苯丙胺类似物。该组合物还可以包括一种酶抑制剂，与介导苯丙胺前药中苯丙胺或苯丙胺类似物的酶相互作用，以减弱苯丙胺前药的酶解。
• Pharmacophore models for the identification of the CYP2D6 inhibitory potency of selective serotonin reuptake inhibitors
  申请人：Pfizer Products Inc.

  公开号：EP1134290A2

  公开（公告）日：2001-09-19

  The present invention relates to novel screening methods which enable the selection of selective serotonin reuptake inhibitor (SSRI) compounds which do not possess significant inhibitory potency towards cytochrome P450 enzymes, in particular, CYP2D6. The present invention also relates to a method of generating a pharmacophore model for the CYP2D6 inhibitory activity of SSRI compounds; to methods for the discovery of molecules that are potential SSRI compounds which do not possess significant inhibitory potency towards the CYP2D6 enzyme; to methods of modeling the features of the CYP2D6 pharmacophore useful in selecting SSRI's which do not possess significant potency towards CYP2D6. Further, the invention also relates to pharmaceutical compositions comprising an SSRI compound which does not possess significant potency towards the CYP2D6 enzyme identified by methods of the invention; to the uses of an SSRI compound identified by the methods of the invention for the manufacture of medicaments and for the treatment of a condition, a disorder or a disease in a mammal for which an SSRI compound identified by the method of the invention is therapeutically useful.

  本发明涉及新颖的筛选方法，该方法能够筛选出对细胞色素P450酶，特别是CYP2D6不具有显著抑制效力的选择性5-羟色胺再摄取抑制剂（SSRI）化合物。本发明还涉及一种生成 SSRI 化合物 CYP2D6 抑制活性药理模型的方法；涉及发现对 CYP2D6 酶不具有显著抑制效力的潜在 SSRI 化合物分子的方法；涉及建立 CYP2D6 药理特征模型的方法，该模型有助于选择对 CYP2D6 不具有显著效力的 SSRI。此外，本发明还涉及药物组合物，该药物组合物包含通过本发明方法鉴定的对 CYP2D6 酶不具有显著效力的 SSRI 化合物；涉及通过本发明方法鉴定的 SSRI 化合物用于制造药物和治疗哺乳动物的病症、紊乱或疾病的用途，通过本发明方法鉴定的 SSRI 化合物对哺乳动物的病症、紊乱或疾病具有治疗作用。

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