(3R)-N-(3,4-dichlorophenyl)-4-[(1-ethylpiperidin-3-yl)methyl]-3-methylpiperazine-1-carboxamide

• 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: (3R)-N-(3,4-dichlorophenyl)-4-[(1-ethylpiperidin-3-yl)methyl]-3-methylpiperazine-1-carboxamide
• 化学式: C₂₀H₃₀Cl₂N₄O
• 分子量: 413.39
• InChiKey: XACQRKPXPPVPHI-AAFJCEBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  38.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  Toluene-4-sulfonic acid 1-ethyl-piperidin-3-ylmethyl ester 、 3,4-二氯苯异氰酸酯 在 potassium carbonate 、 盐酸 、 甲醇 、 N,N-二异丙基乙胺 作用下， 以 乙腈 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 2.25h， 以30%的产率得到(3R)-N-(3,4-dichlorophenyl)-4-[(1-ethylpiperidin-3-yl)methyl]-3-methylpiperazine-1-carboxamide
  参考文献：
  名称：

  WO2006/67401

  摘要：

  公开号：

文献信息

• 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。
• Heterocyclic compounds as CCR2B antagonists
  申请人：AstraZeneca AB

  公开号：US08710224B2

  公开（公告）日：2014-04-29

  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.

  化合物的式子为（I）Q-L-W—C（═X）—Z—P，其中Q是公式为—N（R1）（R2）的胺基；L是烷基或杂环烷基-烷基连接体；W是一个6或7个成员的脂肪环，其中包括环原子Y1和Y2，它们分别与基团L和C（X）连接，并且Y1和Y2分别独立地选自N和C；X是O，N，N—CN或S；Z是NR3；P是一个可选择性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。