2-甲酰基-1H-吲哚-5-羧酸甲酯 | 880360-85-0

• 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: 2-甲酰基-1H-吲哚-5-羧酸甲酯
• 英文名称: 2-formyl-1H-indole-5-carboxylic acid methyl ester
• 英文别名: Methyl 2-formyl-1H-indole-5-carboxylate
• CAS: 880360-85-0
• 化学式: C₁₁H₉NO₃
• 分子量: 203.197
• InChiKey: GFVQAIHYBTWVEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  59.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-甲酰基-1H-吲哚-5-羧酸甲酯 在 lithium aluminium tetrahydride 、 溶剂黄146 、 2-碘酰基苯甲酸 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 7.25h， 生成 2-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-1H-indole-5-carbaldehyde
  参考文献：
  名称：

  2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER

  摘要：

  The present disclosure provides 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole derivatives of formula I as estrogen receptor modulators for the treatment of cancer.

  公开号：

  WO2024039861A1
• 作为产物：
  描述：

  methyl 2-(hydroxymethyl)- 1H-indole-5-carboxylate 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 反应 14.0h， 以85%的产率得到2-甲酰基-1H-吲哚-5-羧酸甲酯
  参考文献：
  名称：

  Histamine-3 receptor antagonists

  摘要：

  本发明涉及一种化合物，其化学式为I，或其药学上可接受的盐；一种含有化合物I的制药组合物；一种治疗可能通过拮抗组胺H3受体治疗的疾病或病症的方法，该方法包括向需要此类治疗的哺乳动物注射上述化合物I；以及一种治疗选择自抑郁症、情绪障碍、精神分裂症、焦虑症、阿尔茨海默病、注意力缺陷障碍（ADD）、注意力缺陷多动障碍（ADHD）、精神疾病、睡眠障碍、肥胖症、头晕、癫痫、晕动病、呼吸系统疾病、过敏、过敏性气道反应、过敏性鼻炎、鼻塞、过敏性充血、充血、低血压、心血管疾病、胃肠道疾病、胃肠道高低运动和酸性分泌物的治疗方法，该方法包括向需要此类治疗的哺乳动物注射上述化合物I。

  公开号：

  US20060069087A1

文献信息

• [EN] HISTAMINE-3 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RECEPTEURS DE L'HISTAMINE-3
  申请人：PFIZER PROD INC

  公开号：WO2006035308A1

  公开（公告）日：2006-04-06

  This invention is directed to a compound of the formula (I) as defined herein, or a pharmaceutically acceptable salt thereof; a pharmaceutical composition containing a compound of formula (I), a method of treatment of a disorder or condition that may be treated by antagonizing histamine H3 receptors, the method comprising administering to a mammal in need of such treatment a compound of formula I as described above, and a method of treatment of a disorder or condition selected from the group consisting of depression, mood disorders, schizophrenia, anxiety disorders, Alzheimer's disease, attention-deficit disorder (ADD), attention-deficit hyperactivity disorder (ADHD), psychotic disorders, sleep disorders, obesity, dizziness, epilepsy, motion sickness, respiratory diseases, allergy, allergy- induced airway responses, allergic rhinitis, nasal congestion, allergic congestion, congestion, hypotension, cardiovascular disease, diseases of the GI tract, hyper and hypo motility and acidic secretion of the gastro- intestinal tract, the method comprising administering to a mammal in need of such treatment a compound of formula (I) as described above.
• Histamine-3 receptor antagonists
  申请人：Wager T. Travis

  公开号：US20060069087A1

  公开（公告）日：2006-03-30

  This invention is directed to a compound of the formula I as defined herein, or a pharmaceutically acceptable salt thereof; a pharmaceutical composition containing a compound of formula I, a method of treatment of a disorder or condition that may be treated by antagonizing histamine H3 receptors, the method comprising administering to a mammal in need of such treatment a compound of formula I as described above, and a method of treatment of a disorder or condition selected from the group consisting of depression, mood disorders, schizophrenia, anxiety disorders, Alzheimer's disease, attention-deficit disorder (ADD), attention-deficit hyperactivity disorder (ADHD), psychotic disorders, sleep disorders, obesity, dizziness, epilepsy, motion sickness, respiratory diseases, allergy, allergy-induced airway responses, allergic rhinitis, nasal congestion, allergic congestion, congestion, hypotension, cardiovascular disease, diseases of the GI tract, hyper and hypo motility and acidic secretion of the gastro-intestinal tract, the method comprising administering to a mammal in need of such treatment a compound of formula I as described above.

  本发明涉及一种化合物，其化学式为I，或其药学上可接受的盐；一种含有化合物I的制药组合物；一种治疗可能通过拮抗组胺H3受体治疗的疾病或病症的方法，该方法包括向需要此类治疗的哺乳动物注射上述化合物I；以及一种治疗选择自抑郁症、情绪障碍、精神分裂症、焦虑症、阿尔茨海默病、注意力缺陷障碍（ADD）、注意力缺陷多动障碍（ADHD）、精神疾病、睡眠障碍、肥胖症、头晕、癫痫、晕动病、呼吸系统疾病、过敏、过敏性气道反应、过敏性鼻炎、鼻塞、过敏性充血、充血、低血压、心血管疾病、胃肠道疾病、胃肠道高低运动和酸性分泌物的治疗方法，该方法包括向需要此类治疗的哺乳动物注射上述化合物I。
• 2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER
  申请人：[en]OLEMA PHARMACEUTICALS, INC.

  公开号：WO2024039861A1

  公开（公告）日：2024-02-22

  The present disclosure provides 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole derivatives of formula I as estrogen receptor modulators for the treatment of cancer.