3-(3-methoxybenzylaminoethyl)-1H-indole | 355816-90-9

• 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-(3-methoxybenzylaminoethyl)-1H-indole
• 英文别名: 2-(1H-indol-3-yl)-N-(3-methoxybenzyl)ethan-1-amine；3-<2-(3-Methoxy-benzylamino)-ethyl>-indol；(2-indol-3-yl-ethyl)-(3-methoxy-benzyl)-amine；[2-(1H-Indol-3-yl)-ethyl]-(3-methoxy-benzyl)-amine；2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
• CAS: 355816-90-9
• 化学式: C₁₈H₂₀N₂O
• 分子量: 280.37
• InChiKey: BNHZZSKSDXENCK-UHFFFAOYSA-N

物化性质

• 溶解度：
  35.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  37
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-丁烯基溴 、 3-(3-methoxybenzylaminoethyl)-1H-indole 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以57 %的产率得到
  参考文献：
  名称：

  [EN] NOVEL BENZYLTRYPTAMINE COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS DE BENZYLTRYPTAMINE

  摘要：

  There is disclosed a compound of Formula (I): and any pharmaceutically acceptable salt or zwitterion thereof; wherein: R is hydrogen, methyl or ethyl; R1is hydrogen or C1-C2alkoxy; R2is methyl or a C2-C4group which may be saturated or unsaturated, branched or linear; and R3, R4, R5and R6each are independently selected from hydrogen, hydroxyl, halogen, methyl optionally substituted with hydroxy, methoxy, ethoxy, and a saturated or unsaturated C2-C3that may be optionally substituted with hydroxyl, with the provisos that: (i) at least two of R4, R5, R6and R7must be hydrogen, and (ii) R3, R4, R5and R6may be selected such that an adjacent pair thereof join to form a ring having at least 5 members. The compound of Formula (I) is believed useful in treating a disease or disorder in a subject which may be alleviated by a 5HT2A agonist (e.g., CNS disorders and one or more symptoms of any one of depression, alcoholism, tobacco addiction, cocaine addiction, inflammation, cluster headache and PTSD in a subject).

  公开号：

  WO2023070228A1
• 作为产物：
  描述：

  3-<2-(3-Methoxy-benzylidenamino)-ethyl>-indol 在 sodium tetrahydroborate 作用下， 以1.1 g的产率得到3-(3-methoxybenzylaminoethyl)-1H-indole
  参考文献：
  名称：

  [EN] NOVEL BENZYLTRYPTAMINE COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS DE BENZYLTRYPTAMINE

  摘要：

  There is disclosed a compound of Formula (I): and any pharmaceutically acceptable salt or zwitterion thereof; wherein: R is hydrogen, methyl or ethyl; R1is hydrogen or C1-C2alkoxy; R2is methyl or a C2-C4group which may be saturated or unsaturated, branched or linear; and R3, R4, R5and R6each are independently selected from hydrogen, hydroxyl, halogen, methyl optionally substituted with hydroxy, methoxy, ethoxy, and a saturated or unsaturated C2-C3that may be optionally substituted with hydroxyl, with the provisos that: (i) at least two of R4, R5, R6and R7must be hydrogen, and (ii) R3, R4, R5and R6may be selected such that an adjacent pair thereof join to form a ring having at least 5 members. The compound of Formula (I) is believed useful in treating a disease or disorder in a subject which may be alleviated by a 5HT2A agonist (e.g., CNS disorders and one or more symptoms of any one of depression, alcoholism, tobacco addiction, cocaine addiction, inflammation, cluster headache and PTSD in a subject).

  公开号：

  WO2023070228A1

文献信息

• [EN] NOVEL BENZYLTRYPTAMINE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS DE BENZYLTRYPTAMINE
  申请人：[en]REUNION NEUROSCIENCE CANADA INC.

  公开号：WO2023070228A1

  公开（公告）日：2023-05-04

  There is disclosed a compound of Formula (I): and any pharmaceutically acceptable salt or zwitterion thereof; wherein: R is hydrogen, methyl or ethyl; R1is hydrogen or C1-C2alkoxy; R2is methyl or a C2-C4group which may be saturated or unsaturated, branched or linear; and R3, R4, R5and R6each are independently selected from hydrogen, hydroxyl, halogen, methyl optionally substituted with hydroxy, methoxy, ethoxy, and a saturated or unsaturated C2-C3that may be optionally substituted with hydroxyl, with the provisos that: (i) at least two of R4, R5, R6and R7must be hydrogen, and (ii) R3, R4, R5and R6may be selected such that an adjacent pair thereof join to form a ring having at least 5 members. The compound of Formula (I) is believed useful in treating a disease or disorder in a subject which may be alleviated by a 5HT2A agonist (e.g., CNS disorders and one or more symptoms of any one of depression, alcoholism, tobacco addiction, cocaine addiction, inflammation, cluster headache and PTSD in a subject).