(2R,5S)-1-(4-fluoro-benzyl)-2,5-dimethyl-piperazine | 478833-41-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2R,5S)-1-(4-fluoro-benzyl)-2,5-dimethyl-piperazine
• 英文别名: (2R,5S)-1-(4-fluorobenzyl)-2,5-dimethylpiperazine；(2R,5S)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine
• CAS: 478833-41-9
• 化学式: C₁₃H₁₉FN₂
• 分子量: 222.306
• InChiKey: VWFLVEICKAOIRL-WDEREUQCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2R,5S)-1-(4-fluoro-benzyl)-2,5-dimethyl-piperazine 在 sodium hydroxide 、 potassium tert-butylate 、 氨 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.67h， 生成 (6-amino-2-methoxy-pyridin-3-yl)-[4-(4-fluoro-benzyl)-2R,5S-dimethyl-piperazin-1-yl]-methanone
  参考文献：
  名称：

  WO2006/112828

  摘要：

  公开号：
• 作为产物：
  描述：

  (2R,5S)-1-(4-fluoro-benzyl)-3,6-dimethyl-piperazine-2,5-dione 以 四氢呋喃 为溶剂， 以91%的产率得到(2R,5S)-1-(4-fluoro-benzyl)-2,5-dimethyl-piperazine
  参考文献：
  名称：

  Novel piperazine derivatives

  摘要：

  该化合物的分子式为1，或其药用盐；其中a、b、c、d、e、j、R1、R2、R3和R4如上所定义，用于治疗炎症和其他免疫性疾病。

  公开号：

  US20020107255A1

文献信息

• Novel cinnamic amides
  申请人：Wellner Eric

  公开号：US20050192289A1

  公开（公告）日：2005-09-01

  E-cinnamic amides of piperazine derivatives according to formula (I) wherein X is chloro or fluoro and R 1 is an aromatic or heteroaromatic group, their pharmaceutically acceptable salts or solvates. The invention also relates to pharmaceutical compositions containing a compound of formula (I) together with a pharmaceutically acceptable carrier. Included are also processes for the preparation of compounds of formula (I), as well as methods for treating mammals suffering from inflammatory, autoimmune, proliferative or hyperproliferative diseases by administering a compound having the formula (I) to said mammal.

  根据公式（I），X为氯或氟，R1为芳香或杂芳基的哌嗪衍生物的E-肉桂酰胺，其药学上可接受的盐或溶剂。该发明还涉及含有公式（I）化合物的药物组合物，以及制备公式（I）化合物的方法，以及通过向哺乳动物施用具有公式（I）的化合物来治疗患有炎症、自身免疫、增殖性或过度增殖性疾病的方法。
• Novel phosphorus-containing derivatives
  申请人：Pfizer Inc

  公开号：US20040127465A1

  公开（公告）日：2004-07-01

  A compound of the Formula I 1 a prodrug thereof, or the pharmaceutically acceptable salt of the compound or prodrug; wherein X, Y, a, b, c, d, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are as defined above and are useful to treat inflammation and other immune disorders. The present invention also relates to pharmaceutical compositions that include compounds of Formula I and a pharmaceutically acceptable carrier. Moreover, the present invention relates to methods of using the above-described compounds and compositions to treat and prevent diseases and conditions.

  一种公式I的化合物，其前体，或该化合物或前体的药用盐；其中X、Y、a、b、c、d、R1、R2、R3、R4、R5、R6和R7如上所定义，并且适用于治疗炎症和其他免疫性疾病。本发明还涉及包括公式I化合物和药用载体的药物组合物。此外，本发明涉及使用上述化合物和组合物治疗和预防疾病和病症的方法。
• Methods of using piperazine derivatives
  申请人：Pfizer Inc

  公开号：US20040092529A1

  公开（公告）日：2004-05-13

  The present invention relates to compounds of the formula I 1 and the pharmaceutically acceptable forms thereof; wherein X, Y, a, b, c, d, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Moreover, the present invention is also directed at pharmaceutical compositions comprising a compound of the formula I and a pharmaceutically acceptable carrier. Furthermore, the present invention is directed at methods of using the herein described compounds and compositions for treating or preventing a disorder or condition that can be treated or prevented by antagonizing the CCR1 receptor in a mammal.

  本发明涉及公式I1的化合物及其药学上可接受的形式；其中X、Y、a、b、c、d、R1、R2、R3、R4和R5如本文所定义。此外，本发明还涉及包含公式I的化合物和药学上可接受的载体的药物组合物。此外，本发明还涉及使用本文所述的化合物和组合物治疗或预防哺乳动物中可通过拮抗CCR1受体治疗或预防的疾病或状况的方法。
• Indole-type derivatives as inhibitors of p38 kinase
  申请人：——

  公开号：US20040142940A1

  公开（公告）日：2004-07-22

  The invention is directed to methods to inhibit p38-&agr; kinase using compounds comprising a phenyl or thienyl coupled through a piperidine or piperazine nucleus to an indole residue wherein the indole residue mandatorily has a substituent on the ring nitrogen which is an amino or substituted amino group.

  该发明涉及使用含有苯基或噻吩基通过哌啶或哌嗪核与吲哚残基相连的化合物来抑制p38-α激酶的方法，其中吲哚残基上强制地具有环氮上的氨基或取代氨基基团。
• Inhibitors of p38 kinase
  申请人：——

  公开号：US20030092717A1

  公开（公告）日：2003-05-15

  The invention is directed to methods to inhibit p38-&agr; kinase using compounds of the formula 1 and the pharmaceutically acceptable salts thereof, or a pharmaceutical composition thereof, wherein represents a single or double bond; B is —W i —COX j Y wherein Y is COR 2 or an isostere thereof and R 2 is hydrogen or a noninterfering substituent, each of W and X is a spacer of 2-6 Å, and each of i and j is independently 0 or 1; each R 3 is independently a noninterfering substituent, where n is 0-3; Z 3 is NR 7 or O; wherein R 7 is H or a noninterfering substituent; one Z 2 is CA or CR 8 A and the other is CR 1 , CR 1 2 , NR 6 or N wherein each R 1 , R 6 and R 8 is independently hydrogen or noninterfering substituent; wherein A is: 2 such that Z 1 is CR 5 or N wherein R 5 is hydrogen or a noninterfering substituent; each of 1 and k is an integer from 0-2 wherein the sum of 1 and k is 0-3; Ar is an aryl group substituted with 0-5 noninterfering substituents, wherein two noninterfering substituents can form a fused ring; each R 4 is independently a noninterfering substituent where m is 0-4; each of L 1 and L 2 is a linker; and the distance between the atom of Ar linked to L 2 and the center of the &bgr; ring is 4.5-24 Å.

  该发明涉及使用式1化合物及其药用盐来抑制p38-α激酶的方法，或者其药物组合物，其中表示单键或双键；B为—Wi—COXjY，其中Y为COR2或其同分异构体，R2为氢或非干扰基，W和X各自为2-6埃的间隔物，i和j各自独立为0或1；每个R3各自为非干扰基，其中n为0-3；Z3为NR7或O；其中R7为H或非干扰基；一个Z2为CA或CR8A，另一个为CR1、CR12、NR6或N，其中每个R1、R6和R8各自独立为氢或非干扰基；其中A为:2，使得Z1为CR5或N，其中R5为氢或非干扰基；每个1和k为0-2的整数，其中1和k的和为0-3；Ar为带有0-5个非干扰基的芳基，其中两个非干扰基可形成融合环；每个R4各自为非干扰基，其中m为0-4；每个L1和L2为连接物；以及与L2连接的Ar原子与β环中心之间的距离为4.5-24埃。