trans-2-(dimethylamino)-3-(methylamino)-1,2,3,4-tetrahydronaphthalene | 133970-09-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: trans-2-(dimethylamino)-3-(methylamino)-1,2,3,4-tetrahydronaphthalene
• 英文别名: (2R,3R)-2-N,3-N,3-N-trimethyl-1,2,3,4-tetrahydronaphthalene-2,3-diamine
• CAS: 133970-09-9
• 化学式: C₁₃H₂₀N₂
• 分子量: 204.315
• InChiKey: WZIWHFKCBKPXFM-CHWSQXEVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  trans-2-(dimethylamino)-3-(methylamino)-1,2,3,4-tetrahydronaphthalene 、 3,4-二氯苯甲酰氯 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 18.0h， 以32%的产率得到trans-2-(dimethylamino)-3-(N-methyl-3',4'-dichlorobenzamido)-1,2,3,4-tetrahydronaphthalene
  参考文献：
  名称：

  Naphtho and benzo analogs of the .kappa. opioid agonist trans-(.+-.)-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide

  摘要：

  Further elaboration on the structure-activity relationships in our U-50,488 series has revealed that benzologation of this cyclohexane-1,2-diamine derivative provides compounds which either maintain the interaction with the kappa-receptor (e.g. compounds 3a and 5a in the phenylacetamido series) or eliminate the mu-receptor mediated analgesia (e.g. compounds 3-6 in the benzamido series). Naphthologation also caused the elimination of mu-receptor mediated analgesia (e.g. compounds 17a and 17b).

  DOI：

  10.1021/jm00110a021
• 作为产物：
  描述：

  2,3-epoxy-1,2,3,4-tetrahydronaphthalene 在 甲基磺酰氯 、 三乙胺 作用下， 反应 22.5h， 生成 trans-2-(dimethylamino)-3-(methylamino)-1,2,3,4-tetrahydronaphthalene
  参考文献：
  名称：

  Naphtho and benzo analogs of the .kappa. opioid agonist trans-(.+-.)-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide

  摘要：

  Further elaboration on the structure-activity relationships in our U-50,488 series has revealed that benzologation of this cyclohexane-1,2-diamine derivative provides compounds which either maintain the interaction with the kappa-receptor (e.g. compounds 3a and 5a in the phenylacetamido series) or eliminate the mu-receptor mediated analgesia (e.g. compounds 3-6 in the benzamido series). Naphthologation also caused the elimination of mu-receptor mediated analgesia (e.g. compounds 17a and 17b).

  DOI：

  10.1021/jm00110a021

文献信息

• [EN] THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS THÉRAPEUTIQUES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2018072602A1

  公开（公告）日：2018-04-26

  The invention provides a compound of formula I: or a pharmaceutically acceptable salt thereof, wherein the variables X, Y1-Y5, R1, R2, R3, R4, and Het have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions.