N-acetyl-1-allyl-5-methoxy-2,4,6-tribromotryptamine

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-acetyl-1-allyl-5-methoxy-2,4,6-tribromotryptamine
• 英文别名: 1-allyl-2,4,6-tribromomelatonin；N-acetyl-1-allyl-2,4,6-tribromo-5-methoxyindole-3-ethanamine；N-[2-(2,4,6-tribromo-5-methoxy-1-prop-2-enylindol-3-yl)ethyl]acetamide
• 化学式: C₁₆H₁₇Br₃N₂O₂
• 分子量: 509.035
• InChiKey: YMDIFZQTLCAIKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  43.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  褪黑素 在 溴 、 sodium acetate 、 potassium carbonate 作用下， 以 溶剂黄146 为溶剂， 生成 N-acetyl-1-allyl-5-methoxy-2,4,6-tribromotryptamine
  参考文献：
  名称：

  The Ideal Synthetic Method Aimed at the Leads for an a2-Blocker, an Inhibitor of Blood Platelet Aggregation, and an Anti-osteoporosis Agent

  摘要：

  According to the definition of the ideal synthetic method, an example aimed at the leads for an alpha(2)-blocker, an inhibitor of platelet aggregation, and an anti-osteoporosis agent is established starting from tryptamine. The originality rate, the intellectual property, and the application potential factors of the method are 71, 54, and 100, respectively. The method employs only conventional reagents and reaction conditions without using any protecting groups.

  DOI：

  10.3987/com-06-10771

文献信息

• Indole derivative and application thereof
  申请人：Somei Masanori

  公开号：US20070197629A1

  公开（公告）日：2007-08-23

  This invention relates to a compound represented by formula (I) or a salt thereof, and a therapeutic agent for osteoporosis, an osteoblast activator, and an osteoclast suppressor comprising the same: wherein X represents a halogen atom; R 1 represents a hydrogen atom, substituted or unsubstituted C 1-6 alkyl, substituted or unsubstituted C 2-6 alkenyl, substituted or unsubstituted C 2-6 alkynyl, a substituted or unsubstituted aromatic group, substituted or unsubstituted aralkyl, substituted or unsubstituted acyl, substituted or unsubstituted arylsulfonyl, substituted or unsubstituted C 1-6 alkylsulfonyl, or hydroxyl; R 2 represents substituted or unsubstituted C 1-21 alkyl; R 3 , R 5 and R 6 , which may be the same or different, each represent a hydrogen atom or a halogen atom; and R 4 represents a hydrogen atom or substituted or unsubstituted C 1-6 alkyl.

  本发明涉及一种由式（I）表示的化合物或其盐，以及用于骨质疏松症的治疗剂、骨细胞活化剂和骨吸收抑制剂，其中X代表卤素原子；R1代表氢原子、取代或未取代的C1-6烷基、取代或未取代的C2-6烯基、取代或未取代的C2-6炔基、取代或未取代的芳香族、取代或未取代的芳基烷基、取代或未取代的酰基、取代或未取代的芳基磺酰基、取代或未取代的C1-6烷基磺酰基或羟基；R2代表取代或未取代的C1-21烷基；R3、R5和R6，可以相同也可以不同，每个代表氢原子或卤素原子；R4代表氢原子或取代或未取代的C1-6烷基。
• US8053462B2
  申请人：——

  公开号：US8053462B2

  公开（公告）日：2011-11-08
• ストレス低減薬剤
  申请人：国立大学法人金沢大学

  公开号：JP2019137640A

  公开（公告）日：2019-08-22

  【課題】海洋深層水に由来する成分、インドール類やその塩やそれの代謝物を、ストレス低減化成分を含有し、安全で効果的なストレス低減薬剤を提供する。【解決手段】ストレス低減薬剤は、下記化学式（Ｉ）【化１】で表わされるインドール類、それの薬学的に許容される塩、及び／又はそれの代謝物を、ストレス低減化成分として、含有するというものである。ストレス低減薬剤は、前記インドール類がトリプトファン骨格を有するものであり、その代謝物がキヌレニン骨格を有するものであってもよい。【選択図】なし
• The Ideal Synthetic Method Aimed at the Leads for an a2-Blocker, an Inhibitor of Blood Platelet Aggregation, and an Anti-osteoporosis Agent
  作者：Masanori Somei、Takako Iwaki、Fumio Yamada、Yoshio Tanaka、Koki Shigenobu、Katsuo Koike、Nobuo Suzuki、Atsuhiko Hattori

  DOI：10.3987/com-06-10771

  日期：——

  According to the definition of the ideal synthetic method, an example aimed at the leads for an alpha(2)-blocker, an inhibitor of platelet aggregation, and an anti-osteoporosis agent is established starting from tryptamine. The originality rate, the intellectual property, and the application potential factors of the method are 71, 54, and 100, respectively. The method employs only conventional reagents and reaction conditions without using any protecting groups.