2-Pyrrolidino-1-brom-1-phenyl-ethan | 104509-20-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Pyrrolidino-1-brom-1-phenyl-ethan
• 英文别名: 1-(2-bromo-2-phenyl-ethyl)-pyrrolidine；1-(2-Bromo-2-phenylethyl)pyrrolidine
• CAS: 104509-20-8
• 化学式: C₁₂H₁₆BrN
• 分子量: 254.17
• InChiKey: NCZUFMJYZSECPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Novel pyridinone and related heterocyclic derivatives
  申请人：——

  公开号：US20040186104A1

  公开（公告）日：2004-09-23

  The present invention relates to a compound of formula (1), (2) or (3) having the following structures: Formula 1, 2, 3 wherein X, Y, and Z are independently C or N; A is a direct bond, CH2 or NH;B is a direct bond or NH; n=0-2; R1 is H, optionally substituted C 1-4 191 alkyl, C 3-7 191 cycloalkyl, halogen, cyano, nitro, aryl, or alkylaryl; R2 is H, C 1-4 191 alkyl, or alkoxy C 1-4 191 alkyl;or R1 and R2 are taken together to form an unsaturated 6-membered aromatic or heterocyclic ring containing one or two heteroatoms fused to the pyridone; R3 is a direct bond, H, C 1-4 191 alkyl, substituted C 1-4 191 alkyl, C 3-7 191 cycloalkyl, aryl or alkylaryl; R4 is a direct bond or H; R5 is C 1-4 191 alkyl or aryl; R6 and R7 are independently H or C 1-4 191 alkyl; R8 and R9 are independently H, C 1-4 191 alkyl, or tert-butoxycarbonyl or R8 and R9 are taken together with the nitrogen to which they are attached and form optionally, unsubstituted, substituted, fused or unsaturated 5-,6-,7-membered heterocycles containing one or two heteroatoms wherein said substituents are selected from the group consisting of hydroxyl, hydroxymethyl, carboxymethyl, carboxy, methoxy, and tert-butoxy;as (R)enantiomers, (S)-enantiomers or a racemate in the form of a free base or a pharmaceutically acceptable salt or solvate thereof. 1

  本发明涉及具有以下结构的式（1），（2）或（3）的化合物：式1，2，3，其中X，Y和Z独立地为C或N；A为直接键，CH2或NH；B为直接键或NH；n＝0-2；R1为H，可选地取代的C1-4191烷基，C3-7191环烷基，卤素，氰基，硝基，芳基或烷基芳基；R2为H，C1-4191烷基或烷氧基C1-4191烷基；或R1和R2一起形成不饱和的6元芳香或杂环环，其中包含一个或两个杂原子与吡啶酮融合；R3为直接键，H，C1-4191烷基，取代的C1-4191烷基，C3-7191环烷基，芳基或烷基芳基；R4为直接键或H；R5为C1-4191烷基或芳基；R6和R7独立地为H或C1-4191烷基；R8和R9独立地为H，C1-4191烷基或叔丁氧羰基或R8和R9与它们连接的氮一起形成可选地未取代，取代，融合或不饱和的5、6、7元杂环，其中所述取代基从羟基，羟甲基，羧甲基，羧基，甲氧基和叔丁氧基的群中选择；作为（R）对映体，（S）-对映体或自由碱形式或药学上可接受的盐或溶剂的混合物。
• NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES
  申请人：AstraZeneca AB

  公开号：EP1387829A1

  公开（公告）日：2004-02-11
• [EN] NOVEL PYRIDINONE AND RELATED HETEROCYCLIC DERIVATIVES<br/>[FR] PYRIDINONE ET DERIVES HETEROCYCLIQUES CONNEXES
  申请人：ASTRAZENECA AB

  公开号：WO2002090333A1

  公开（公告）日：2002-11-14

  The present invention relates to a compound of formula (1), (2) or (3) having the following structures: Formula 1, 2, 3 wherein X, Y, and Z are independently C or N; A is a direct bond, CH2 or NH;B is a direct bond or NH; n= 0-2; R1 is H, optionally substituted C1-4191 alkyl, C3-7191 cycloalkyl, halogen, cyano, nitro, aryl, or alkylaryl; R2 is H, C1-4191 alkyl, or alkoxy C1-4191 alkyl;or R1 and R2 are taken together to form an unsaturated 6-membered aromatic or heterocyclic ring containing one or two heteroatoms fused to the pyridone; R3 is a direct bond, H, C1-4191 alkyl, substituted C1-4191 alkyl, C3-7191 cycloalkyl, aryl or alkylaryl; R4 is a direct bond or H; R5 is C1-4191 alkyl or aryl; R6 and R7 are independently H or C1-4191 alkyl; R8 and R9 are independently H, C1-4191 alkyl, or tert-butoxycarbonyl or R8 and R9 are taken together with the nitrogen to which they are attached and form optionally, unsubstituted, substituted, fused or unsaturated 5-,6-,7-membered heterocycles containing one or two heteroatoms wherein said substituents are selected from the group consisting of hydroxyl, hydroxymethyl, carboxymethyl, carboxy, methoxy, and tert-butoxy;as (R)-enantiomers, (S)-enantiomers or a racemate in the form of a free base or a pharmaceutically acceptable salt or solvate thereof.