(7-甲氧基吲哚-2-基)-甲醇 | 30464-83-6

• 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
• 中文名称: (7-甲氧基吲哚-2-基)-甲醇
• 英文名称: (7-methoxy-1H-indol-2-yl)methanol
• 英文别名: (7-methoxy-indol-2-yl)-methanol
• CAS: 30464-83-6
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: PXUQJNBVONMHOX-UHFFFAOYSA-N

物化性质

• 沸点：
  395.0±27.0 °C(Predicted)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  45.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P264,P270,P301+P312,P330,P302+P352,P333+P313,P321,P261,P272,P280,P363,P501
• 危险性描述：
  H302,H317

反应信息

• 作为反应物：
  描述：

  (7-甲氧基吲哚-2-基)-甲醇 在 manganese(IV) oxide 、 lithium aluminium tetrahydride 、 ammonium acetate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 13.5h， 生成 2-(7-methoxy-indol-2-yl)-ethylamine
  参考文献：
  名称：

  2-[N-Acylamino(C₁−C₃)alkyl]indoles as MT₁ Melatonin Receptor Partial Agonists, Antagonists, and Putative Inverse Agonists

  摘要：

  The synthesis of several novel indole melatonin analogues substituted at the 2-position with acylaminomethyl (8-11), acylaminoethyl (5a-k), or acylaminopropyl (13) side chains is reported. On the basis of a novel in vitro functional assay (specific binding of [S-35]GTP gamma S), which can discriminate agonist from partial agonist, antagonist, and inverse agonist ligands, Ba,g,h,j and 13 were shown to be partial agonists, 5d,e and 8-11 competitive antagonists, and 5b,c,k putative inverse agonists. Binding and functional assays were performed on cloned human MT1 receptor. Structure-activity relationship considerations indicate that N-[1-aryl-2-(4-methoxy-1H-indol-2-yl)(C-1-C-2)alkyl]alkanamides represent a lead structure for this type of ligands.

  DOI：

  10.1021/jm970721h
• 作为产物：
  描述：

  7-甲氧基-1H-吲哚-2-羧酸甲酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.75h， 生成 (7-甲氧基吲哚-2-基)-甲醇
  参考文献：
  名称：

  2-[N-Acylamino(C₁−C₃)alkyl]indoles as MT₁ Melatonin Receptor Partial Agonists, Antagonists, and Putative Inverse Agonists

  摘要：

  The synthesis of several novel indole melatonin analogues substituted at the 2-position with acylaminomethyl (8-11), acylaminoethyl (5a-k), or acylaminopropyl (13) side chains is reported. On the basis of a novel in vitro functional assay (specific binding of [S-35]GTP gamma S), which can discriminate agonist from partial agonist, antagonist, and inverse agonist ligands, Ba,g,h,j and 13 were shown to be partial agonists, 5d,e and 8-11 competitive antagonists, and 5b,c,k putative inverse agonists. Binding and functional assays were performed on cloned human MT1 receptor. Structure-activity relationship considerations indicate that N-[1-aryl-2-(4-methoxy-1H-indol-2-yl)(C-1-C-2)alkyl]alkanamides represent a lead structure for this type of ligands.

  DOI：

  10.1021/jm970721h

文献信息

• Fused-ring or tricyclic aryl pyrimidine compound used as kinase inhibitor
  申请人：NANJING SANHOME PHARMACEUTICAL CO., LTD

  公开号：US10093656B2

  公开（公告）日：2018-10-09

  Disclosed is a fused-ring or tricyclic aryl pyrimidine compound used as a mutation selectivity EGFR inhibitor. Specifically, disclosed is a compound represented by formula (I) and used as an EGFR inhibitor or a pharmaceutically acceptable salt thereof.

  公开了一种作为突变选择性表皮生长因子受体抑制剂的融合环或三环芳基嘧啶化合物。具体地说，公开了一种由式（I）代表并用作表皮生长因子受体抑制剂的化合物或其药学上可接受的盐。
• FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR
  申请人：GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD.

  公开号：EP3290419B1

  公开（公告）日：2019-08-07
• Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor
  申请人：GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD

  公开号：US20180072704A1

  公开（公告）日：2018-03-15

  Disclosed is a fused-ring or tricyclic aryl pyrimidine compound used as a mutation selectivity EGFR inhibitor. Specifically, disclosed is a compound represented by formula (I) and used as an EGFR inhibitor or a pharmaceutically acceptable salt thereof.
• 2-[<i>N</i>-Acylamino(C₁−C₃)alkyl]indoles as MT₁ Melatonin Receptor Partial Agonists, Antagonists, and Putative Inverse Agonists
  作者：Gilberto Spadoni、Cesarino Balsamini、Annalida Bedini、Giuseppe Diamantini、Barbara Di Giacomo、Andrea Tontini、Giorgio Tarzia、Marco Mor、Pier Vincenzo Plazzi、Silvia Rivara、Romolo Nonno、Marilou Pannacci、Valeria Lucini、Franco Fraschini、Bojidar Michaylov Stankov

  DOI：10.1021/jm970721h

  日期：1998.9.1

  The synthesis of several novel indole melatonin analogues substituted at the 2-position with acylaminomethyl (8-11), acylaminoethyl (5a-k), or acylaminopropyl (13) side chains is reported. On the basis of a novel in vitro functional assay (specific binding of [S-35]GTP gamma S), which can discriminate agonist from partial agonist, antagonist, and inverse agonist ligands, Ba,g,h,j and 13 were shown to be partial agonists, 5d,e and 8-11 competitive antagonists, and 5b,c,k putative inverse agonists. Binding and functional assays were performed on cloned human MT1 receptor. Structure-activity relationship considerations indicate that N-[1-aryl-2-(4-methoxy-1H-indol-2-yl)(C-1-C-2)alkyl]alkanamides represent a lead structure for this type of ligands.