1-{[(3S)-1-cyclopropylpiperidin-3-yl]methyl}piperazine | 894801-66-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-{[(3S)-1-cyclopropylpiperidin-3-yl]methyl}piperazine
• 英文别名: 1-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine
• CAS: 894801-66-2
• 化学式: C₁₃H₂₅N₃
• 分子量: 223.362
• InChiKey: CLVPHAODVXPRKB-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-{[(3S)-1-cyclopropylpiperidin-3-yl]methyl}piperazine 、 5-叔丁基异噁唑-3-基氨基甲酸苯酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以52%的产率得到N-(5-tert-butylisoxazol-3-yl)-4-{[(3S)-1-cyclopropylpiperidin-3-yl]methyl}piperazine-1-carboxamide
  参考文献：
  名称：

  WO2006/67401

  摘要：

  公开号：
• 作为产物：
  描述：

  benzyl 4-{[(3S)-1-cyclopropylpiperidin-3-yl]methyl}piperazine-1-carboxylate 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 100.0h， 生成 1-{[(3S)-1-cyclopropylpiperidin-3-yl]methyl}piperazine
  参考文献：
  名称：

  WO2006/67401

  摘要：

  公开号：

文献信息

• Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases
  申请人：Bower Justin Fairfield

  公开号：US20080287453A1

  公开（公告）日：2008-11-20

  A compound of formula (I) P—W—C(═X)-L-Q   (I) wherein P is an optionally substituted aryl or heteroaryl group; W is an optionally substituted 6 or 7-membered aliphatic ring comprising ring atoms Y 1 and Y 2 independently selected from Oxygen and Nitrogen, X is selected from Oxygen, Nitrogen and Sulphur; L is an optional C 1-4 linker; and Q is an optionally substituted 4-7 membered aliphatic ring: for use in the treatment of chemokine mediated diseases or disorders.

  化合物式为(I)P—W—C(═X)-L-Q  (I)的化合物，其中P是一种可选取的取代芳基或杂环芳基基团；W是一种可选取的6或7成员的脂环，包括环原子Y1和Y2，其独立地选自氧和氮，X选自氧、氮和硫；L是可选的C1-4连接基；Q是一种可选取的4-7成员的脂环；用于治疗趋化因子介导的疾病或疾病的化合物。
• Heterocyclic Compounds as Ccr2b antagonists
  申请人：Bower Justin Fairfield

  公开号：US20090099156A1

  公开（公告）日：2009-04-16

  Compounds of formula (I) Q-L-W—C(═X)-Z-P wherein Q is an amine of the formula —N(R 1 )(R 2 ); L is an alkyl or heterocyclyl-alkyl linker; W is a 6- or 7-membered aliphatic ring comprising ring atoms Y 1 and Y 2 which are linked to groups L and C(X) respectively and Y 1 and Y 2 are independently selected from N and C; X is O, N, N—CN or S; Z is NR 3 ; P is an optionally substituted monocyclic or bicyclic aryl or heteroaryl group; and pharmaceutically acceptable salts or solvates thereof, are useful in the treatment of C-C chemokine mediated conditions.

  化合物的公式（I）Q-L-W—C（═X）-Z-P，其中Q是公式—N（R1）（R2）的胺基；L是烷基或杂环基烷基连接物；W是由环原子Y1和Y2组成的6-或7-成员脂肪环，其中Y1和Y2分别与基团L和C（X）连接，并且Y1和Y2分别独立地从N和C中选出；X是O、N、N—CN或S；Z是NR3；P是可选取代的单环或双环芳基或杂芳基基团；以及其药学上可接受的盐或溶剂，可用于治疗C-C趋化因子介导的疾病。
• Heterocyclic Compounds as CCR2 Antagonists
  申请人：Bower Justin Fairfield

  公开号：US20120264762A1

  公开（公告）日：2012-10-18

  Compounds of formula (I) Q-L-W—C(═X)—Z—P wherein Q is an amine of the formula —N(R 1 )(R 2 ); L is an alkyl or heterocyclyl-alkyl linker; W is a 6- or 7-membered aliphatic ring comprising ring atoms Y 1 and Y 2 which are linked to groups L and C(X) respectively and Y 1 and Y 2 are independently selected from N and C; X is O, N, N—CN or S; Z is NR 3 ; P is an optionally substituted monocyclic or bicyclic aryl or heteroaryl group; and pharmaceutically acceptable salts or solvates thereof, are useful in the treatment of C—C chemokine mediated conditions.

  化合物的式子为(I)Q-L-W—C(═X)—Z—P，其中Q是公式—N(R1)(R2)的胺基；L是烷基或杂环烷基-烷基连接物；W是一个6-或7-成员的脂肪环，包括环原子Y1和Y2，它们分别与基团L和C(X)相连，Y1和Y2独立地选自N和C；X是O、N、N—CN或S；Z是NR3；P是一个可选择取代的单环或双环芳基或杂芳基基团；以及其药学上可接受的盐或溶剂，用于治疗C-C趋化因子介导的疾病。
• Heterocyclic compounds as ccr2b antagonists
  申请人：AstraZeneca AB

  公开号：US07906645B2

  公开（公告）日：2011-03-15

  Compounds of formula (I) Q-L-W—C(═X)—Z—P wherein Q is an amine of the formula —N(R1)(R2); L is an alkyl or heterocyclyl-alkyl linker; W is a 6- or 7-membered aliphatic ring comprising ring atoms Y1 and Y2 which are linked to groups L and C(X) respectively and Y1 and Y2 are independently selected from N and C; X is O, N, N—CN or S; Z is NR3; P is an optionally substituted monocyclic or bicyclic aryl or heteroaryl group; and pharmaceutically acceptable salts or solvates thereof, are useful in the treatment of C-C chemokine mediated conditions.

  化合物的公式(I) Q-L-W—C(═X)—Z—P，其中Q是公式—N(R1)(R2)的胺基；L是烷基或杂环烷基-烷基连接物；W是一个6-或7-成员的脂肪环，包括环原子Y1和Y2，它们分别与基团L和C(X)连接，并且Y1和Y2是独立选择的N和C；X是O、N、N—CN或S；Z是NR3；P是可选择取代的单环或双环芳基或杂芳基基团；以及其药学上可接受的盐或溶剂，对于治疗C-C趋化因子介导的疾病是有用的。
• HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS
  申请人：AstraZeneca AB

  公开号：US20140038978A1

  公开（公告）日：2014-02-06

  Compounds of formula (I) Q-L-W—C(═X)—Z—P wherein Q is an amine of the formula —N(R 1 )(R 2 ); L is an alkyl or heterocyclyl-alkyl linker; W is a 6- or 7-membered aliphatic ring comprising ring atoms Y 1 and Y 2 which are linked to groups L and C(X) respectively and Y 1 and Y 2 are independently selected from N and C; X is O, N, N—CN or S; Z is NR 3 ; P is an optionally substituted monocyclic or bicyclic aryl or heteroaryl group; and pharmaceutically acceptable salts or solvates thereof, are useful in the treatment of C—C chemokine mediated conditions.

  化合物的公式为(I)Q-L-W—C(═X)—Z—P，其中Q是公式—N(R1)(R2)的胺基；L是烷基或杂环烷基-烷基连接物；W是一个6-或7-成员的脂肪环，包括环原子Y1和Y2，它们分别与基团L和C(X)连接，并且Y1和Y2独立地选自N和C；X是O、N、N—CN或S；Z是NR3；P是可选取代的单环或双环芳基或杂芳基；以及其药学上可接受的盐或溶剂，用于治疗C-C趋化因子介导的疾病。