4-({[(methylamino)thioxomethyl]amino}methyl) piperidine carboxylic acid tert-butyl ester | 616224-73-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-({[(methylamino)thioxomethyl]amino}methyl) piperidine carboxylic acid tert-butyl ester
• 英文别名: 4-({[(Methylamino)thioxomethyl]amino}methyl)piperidine carboxylic acid tert-butyl ester；tert-butyl 4-[(methylcarbamothioylamino)methyl]piperidine-1-carboxylate
• CAS: 616224-73-8
• 化学式: C₁₃H₂₅N₃O₂S
• 分子量: 287.426
• InChiKey: NKWZYKARYSLKBF-UHFFFAOYSA-N

物化性质

• 沸点：
  378.6±34.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  85.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异硫氰酸甲酯 、 1-叔丁氧羰基-4-氨甲基哌啶 以 四氢呋喃 为溶剂， 以98%的产率得到4-({[(methylamino)thioxomethyl]amino}methyl) piperidine carboxylic acid tert-butyl ester
  参考文献：
  名称：

  EP1502916

  摘要：

  公开号：

文献信息

• Piperidine derivatives having ccr3 antagonism
  申请人：Matsumoto Yoshiyuki

  公开号：US20070032525A1

  公开（公告）日：2007-02-08

  The invention provides low molecular compounds having activity which inhibits binding of CCR3 ligands to CCR3 on target cells, i.e. CCR3 antagonists. The invention also provides compounds represented by formula (I) below, pharmaceutically acceptable acid adducts thereof, or pharmaceutically acceptable C 1 -C 6 alkyl adducts thereof, as well as pharmaceutical compositions comprising them as effective ingredients, which are useful for treatment or prevention of diseases associated with CCR3, such as asthma and allergic rhinitis.

  本发明提供了具有抑制CCR3配体结合到靶细胞CCR3的活性的低分子化合物，即CCR3拮抗剂。本发明还提供了由下式（I）表示的化合物，其药学上可接受的酸加合物或药学上可接受的C1-C6烷基加合物，以及包含它们作为有效成分的制药组合物，用于治疗或预防与CCR3相关的疾病，例如哮喘和过敏性鼻炎。
• Piperidine derivatives having CCR3 antagonism
  申请人：Teijin Limited

  公开号：US07517875B2

  公开（公告）日：2009-04-14

  The invention provides low molecular compounds having activity which inhibits binding of CCR3 ligands to CCR3 on target cells, i.e. CCR3 antagonists. The invention also provides compounds represented by formula (I) below, pharmaceutically acceptable acid adducts thereof, or pharmaceutically acceptable C1-C6 alkyl adducts thereof, as well as pharmaceutical compositions comprising them as effective ingredients, which are useful for treatment or prevention of diseases associated with CCR3, such as asthma and allergic rhinitis.

  该发明提供了具有抑制CCR3配体与靶细胞上CCR3结合活性的低分子化合物，即CCR3拮抗剂。该发明还提供了由下式（I）所表示的化合物，其药学上可接受的酸加合物或药学上可接受的C1-C6烷基加合物，以及包含它们作为有效成分的制药组合物，可用于治疗或预防与CCR3相关的疾病，如哮喘和过敏性鼻炎。
• PIPERIDINE DERIVATIVES HAVING CCR3 ANTAGONISM
  申请人：TEIJIN LIMITED

  公开号：EP1502916A1

  公开（公告）日：2005-02-02

  The invention provides low molecular compounds having activity which inhibits binding of CCR3 ligands to CCR3 on target cells, i.e. CCR3 antagonists. The invention also provides compounds represented by formula (I) below, pharmaceutically acceptable acid adducts thereof, or pharmaceutically acceptable C1-C6 alkyl adducts thereof, as well as pharmaceutical compositions comprising them as effective ingredients, which are useful for treatment or prevention of diseases associated with CCR3, such as asthma and allergic rhinitis.

  本发明提供了具有抑制 CCR3 配体与靶细胞上 CCR3 结合活性的低分子化合物，即 CCR3 拮抗剂。本发明还提供了下式(I)代表的化合物、其药学上可接受的酸加合物或其药学上可接受的C1-C6烷基加合物，以及包含它们作为有效成分的药物组合物，这些化合物可用于治疗或预防与CCR3相关的疾病，如哮喘和过敏性鼻炎。
• US7517875B2
  申请人：——

  公开号：US7517875B2

  公开（公告）日：2009-04-14