9-氟-3,4-二氢-1H-吡啶并[4,3-B]吲哚-2(5H)-羧酸叔丁酯 | 1186100-12-8

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - Pyrroloazepines
• 中文名称: 9-氟-3,4-二氢-1H-吡啶并[4,3-B]吲哚-2(5H)-羧酸叔丁酯
• 英文名称: tert-butyl 9-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
• 英文别名: tert-Butyl 9-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate；tert-butyl 9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
• CAS: 1186100-12-8
• 化学式: C₁₆H₁₉FN₂O₂
• 分子量: 290.337
• InChiKey: LZDDIWJBSGRULK-UHFFFAOYSA-N

物化性质

• 沸点：
  427.3±45.0 °C(Predicted)
• 密度：
  1.256±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  45.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 9-氟-3,4-二氢-1H-吡啶并[4,3-B]吲哚-2(5H)-羧酸叔丁酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Synthesis and structure–activity relationships of γ-carboline derivatives as potent and selective cysLT1 antagonists

  摘要：

  A gamma-carboline series of cysLT(1) receptor antagonists has been prepared. Some of the compounds show good potencies both, in vitro and in vivo, compared to the standard compounds. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.094
• 作为产物：
  描述：

  9-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 、 二碳酸二叔丁酯 以 四氢呋喃 为溶剂， 以98%的产率得到9-氟-3,4-二氢-1H-吡啶并[4,3-B]吲哚-2(5H)-羧酸叔丁酯
  参考文献：
  名称：

  Synthesis and structure–activity relationships of γ-carboline derivatives as potent and selective cysLT1 antagonists

  摘要：

  A gamma-carboline series of cysLT(1) receptor antagonists has been prepared. Some of the compounds show good potencies both, in vitro and in vivo, compared to the standard compounds. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.094

文献信息

• [EN] 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE<br/>[FR] DÉRIVÉS DE 1,3,4,5-TÉTRAHYDRO-2H-PYRIDO[4,3-B]INDOLE POUR LE TRAITEMENT, LE SOULAGEMENT OU LA PRÉVENTION DE TROUBLES ASSOCIÉS À DES AGRÉGATS DE TAU COMME LA MALADIE D'ALZHEIMER
  申请人：AC IMMUNE SA

  公开号：WO2019134978A1

  公开（公告）日：2019-07-11

  The present invention relates to novel compounds that can be employed in the treatment, alleviation or prevention of a group of disorders and abnormalities associated with Tau (Tubulin associated unit) protein aggregates including, but not limited to, Neurofibrillary Tangles (NFTs), such as Alzheimer's disease (AD).

  本发明涉及一类新化合物，可用于治疗、缓解或预防与Tau蛋白聚集相关的一组疾病和异常，包括但不限于神经原纤维缠结（NFTs），如阿尔茨海默病（AD）。
• [EN] NOVEL COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES<br/>[FR] NOUVEAUX COMPOSÉS POUR LE TRAITEMENT, LE SOULAGEMENT OU LA PRÉVENTION DE TROUBLES ASSOCIÉS À DES AGRÉGATS DE PROTÉINE TAU
  申请人：AC IMMUNE SA

  公开号：WO2020177952A1

  公开（公告）日：2020-09-10

  The present invention relates to novel compounds that can be employed in the treatment, alleviation or prevention of a group of disorders and abnormalities associated with Tau (Tubulin associated unit) protein aggregates including, but not limited to, Neurofibrillary Tangles (NFTs), such as Alzheimer's disease (AD).

  本发明涉及一种新型化合物，可用于治疗、缓解或预防与Tau（微管相关单元）蛋白聚集相关的一组疾病和异常，包括但不限于神经原纤维缠结（NFTs），如阿尔茨海默病（AD）。
• Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates
  申请人：AC Immune SA

  公开号：US10633383B2

  公开（公告）日：2020-04-28

  The present invention relates to novel compounds that can be employed in the treatment, alleviation or prevention of a group of disorders and abnormalities associated with Tau (Tubulin associated unit) protein aggregates including, but not limited to, Neurofibrillary Tangles (NFTs), such as Alzheimer's disease (AD).

  本发明涉及新型化合物，可用于治疗、缓解或预防与 Tau（微管蛋白相关单位）蛋白聚集有关的一组疾病和异常，包括但不限于神经纤维缠结（NFT），如阿尔茨海默病（AD）。
• Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates
  申请人：AC Immune SA

  公开号：US20190211012A1

  公开（公告）日：2019-07-11

  The present invention relates to novel compounds that can be employed in the treatment, alleviation or prevention of a group of disorders and abnormalities associated with Tau (Tubulin associated unit) protein aggregates including, but not limited to, Neurofibrillary Tangles (NFTs), such as Alzheimer's disease (AD).
• Novel Compounds for the Treatment, Alleviation or Prevention of Disorders Associated with Tau Aggregates
  申请人：AC Immune SA

  公开号：US20220127263A1

  公开（公告）日：2022-04-28

  The present invention relates to novel compounds that can be employed in the treatment, alleviation or prevention of a group of disorders and abnormalities associated with Tau (Tubulin associated unit) protein aggregates including, but not limited to, Neurofibrillary Tangles (NFTs), such as Alzheimer's disease (AD).