3-(2-(diisopropylamino)-2-oxoacetyl)-1H-indol-4-yl acetate | 63065-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-(2-(diisopropylamino)-2-oxoacetyl)-1H-indol-4-yl acetate
• 英文别名: 4-Acetoxy-N,N-di-isoproyplindol-3-glyoxylamid；4-(Acetyloxy)-N,N-bis(1-methylethyl)-I+/--oxo-1H-indole-3-acetamide；[3-[2-[di(propan-2-yl)amino]-2-oxoacetyl]-1H-indol-4-yl] acetate
• CAS: 63065-84-9
• 化学式: C₁₈H₂₂N₂O₄
• 分子量: 330.384
• InChiKey: WJFSLSBSIHBTER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(2-(diisopropylamino)-2-oxoacetyl)-1H-indol-4-yl acetate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 2-甲基四氢呋喃 为溶剂， 以70 %的产率得到4-羟基-N,N-二异丙基色胺
  参考文献：
  名称：

  [EN] SALTS AND SOLID FORMS OF 4-HYDROXY-N,N-DIISOPROPYLTRYPTAMINE HEMI-GLUTARATE AND HEMI-SUCCINATE
  [FR] SELS ET FORMES SOLIDES D'HÉMI-GLUTARATE ET D'HÉMI-SUCCINATE DE 4-HYDROXY-N,N-DIISOPROPYLTRYPTAMINE

  摘要：

  Disclosed herein are salts and solid forms of 4-hydroxy-N,N-diisopropyltryptamine hemi-glutarate (4-OH-DIPT), e.g., 4-OH-DIPT hemi-glutarate, 4-OH-DIPT hemi-succinate, 4-OH-DIPT hemi-succinate hydrochloride, and 4-OH-DIPT hemi-glutarate hydrochloride. The solid form may be a salt and/or a crystalline form of the 4-OH-DIPT, such as a polymorph of 4-OH-DIPT or a salt thereof. Also disclosed are methods for making the solid forms and methods for administering the solid forms. The disclosed solid forms of 4-OH-DIPT are useful for treating neurological disease and/or a psychiatric disorder in a subject.

  公开号：

  WO2023133477A1
• 作为产物：
  描述：

  4-乙酰氧基吲哚 在 二异丁基氢化铝 作用下， 以 四氢呋喃 、 甲基叔丁基醚 为溶剂， 反应 5.0h， 生成 3-(2-(diisopropylamino)-2-oxoacetyl)-1H-indol-4-yl acetate
  参考文献：
  名称：

  [EN] SALTS AND SOLID FORMS OF 4-HYDROXY-N,N-DIISOPROPYLTRYPTAMINE HEMI-GLUTARATE AND HEMI-SUCCINATE
  [FR] SELS ET FORMES SOLIDES D'HÉMI-GLUTARATE ET D'HÉMI-SUCCINATE DE 4-HYDROXY-N,N-DIISOPROPYLTRYPTAMINE

  摘要：

  Disclosed herein are salts and solid forms of 4-hydroxy-N,N-diisopropyltryptamine hemi-glutarate (4-OH-DIPT), e.g., 4-OH-DIPT hemi-glutarate, 4-OH-DIPT hemi-succinate, 4-OH-DIPT hemi-succinate hydrochloride, and 4-OH-DIPT hemi-glutarate hydrochloride. The solid form may be a salt and/or a crystalline form of the 4-OH-DIPT, such as a polymorph of 4-OH-DIPT or a salt thereof. Also disclosed are methods for making the solid forms and methods for administering the solid forms. The disclosed solid forms of 4-OH-DIPT are useful for treating neurological disease and/or a psychiatric disorder in a subject.

  公开号：

  WO2023133477A1

文献信息

• [EN] NOVEL PSILOCIN ANALOG COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME<br/>[FR] NOUVELLES COMPOSITIONS D'ANALOGUE DE PSILOCINE ET LEURS PROCÉDÉS DE SYNTHÈSE
  申请人：[en]MYDECINE INNOVATIONS GROUP INC.

  公开号：WO2022120181A1

  公开（公告）日：2022-06-09

  The present invention is directed to novel chemical compositions of matter and their methods of synthesis, and in particular novel analogs of Psilocin having enhanced physical and pharmacokinetic characteristics.