3-Benzyl-1-(piperidin-3-yl)urea | 473730-79-9

• 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: 3-Benzyl-1-(piperidin-3-yl)urea
• 英文别名: 1-benzyl-3-piperidin-3-ylurea
• CAS: 473730-79-9
• 化学式: C₁₃H₁₉N₃O
• 分子量: 233.313
• InChiKey: FAVWIYUUVOZBLA-UHFFFAOYSA-N

物化性质

• 沸点：
  464.6±44.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  53.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.5h， 生成 3-Benzyl-1-(piperidin-3-yl)urea
  参考文献：
  名称：

  3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands

  摘要：

  这里公开了用于治疗诸如急性和慢性炎症性疾病以及癌症的趋化因子介导疾病的公式1化合物或其药用可接受的盐或溶剂。

  公开号：

  US20040147559A1

文献信息

• [EN] THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS<br/>[FR] THIADIAZOLEDIOXYDES ET THIADIAZOLEOXIDES CONVENANT COMME LIGANDS DES RECEPTEURS DES CXC- ET CC-CHIMIOKINES
  申请人：PHARMACOPEIA INC

  公开号：WO2004033440A1

  公开（公告）日：2004-04-22

  Disclosed are novel compounds of the formula (IA) and the pharmaceutically acceptable salts and solvates thereof. Examples of groups comprising Substituent A include heteroaryl, aryl, heterocycloalkyl, cycloalkyl, aryl, alkynyl, alkenyl, aminoalkyl, alkyl or amino. Examples of groups comprising Substituent B include aryl and heteroaryl. Also disclosed is a method of treating a chemokine mediated diseases, such as, cancer, angiogenisis, angiogenic ocular diseases, pulmonary diseases, multiple sclerosis, rheumatoid arthritis, osteoarthritis, stroke and cardiac reperfusion injury, acute pain, acute and chronic inflammatory pain, and neuropathic pain using a compound of formula (IA).

  披露了公式（IA）的新颖化合物以及其中医药可接受的盐和溶剂化物。包含取代基A的基团示例包括杂芳基、芳基、杂环烷基、环烷基、芳基、炔基、烯基、氨基烷基、烷基或氨基。包含取代基B的基团示例包括芳基和杂芳基。还披露了一种治疗趋化因子介导的疾病的方法，例如，癌症、血管生成、血管生成性眼病、肺病、多发性硬化症、类风湿性关节炎、骨关节炎、中风和心脏再灌注损伤、急性疼痛、急性和慢性炎症性疼痛，以及使用公式（IA）的化合物的神经性疼痛。
• [EN] THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS<br/>[FR] UTILISATION DE THIADIAZOLES COMME LIGANDS DES RECEPTEURS AUX CHIMIOKINES CXC ET CC
  申请人：SCHERING CORP

  公开号：WO2005066147A1

  公开（公告）日：2005-07-21

  Disclosed are novel compounds of Formula (IA) and the pharmaceutically acceptable salts and solvates thereof. Examples of groups comprising Substituent A include heteroaryl, aryl, heterocycloalkyl, cycloalkyl, aryl, alkynyl, alkenyl, aminoalkyl, alkyl or amino. Examples of groups comprising Substituent B include aryl and heteroaryl. Also disclosed is a method of treating a chemokine mediated diseases, such as, cancer, angiogenisis, angiogenic ocular diseases, pulmonary diseases, multiple sclerosis, rheumatoid arthritis, osteoarthritis, stroke and ischemia reperfusion injury, pain (e.g., acute pain, acute and chronic inflammatory pain, and neuropathic pain) using a compound of Formula (IA).

  公开了公式(IA)的新颖化合物及其药用可接受的盐和溶剂化物。包含代位基A的组群示例包括杂芳基、芳基、杂环烷基、环烷基、芳基、炔基、烯基、氨基烷基、烷基或氨基。包含代位基B的组群示例包括芳基和杂芳基。还公开了一种治疗趋化因子介导疾病的方法，例如，使用公式(IA)的化合物治疗癌症、血管生成、血管生成性眼病、肺病、多发性硬化症、类风湿性关节炎、骨关节炎、中风和缺血再灌注损伤、疼痛(例如，急性疼痛、急性和慢性炎症性疼痛和神经性疼痛)。
• THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS
  申请人：Biju J. Purakkattle

  公开号：US20080090823A1

  公开（公告）日：2008-04-17

  Disclosed are novel compounds of the formula: and the pharmaceutically acceptable salts and solvates thereof. Examples of groups comprising Substituent A include heteroaryl, aryl, heterocycloalkyl, cycloalkyl, aryl, alkynyl, alkenyl, aminoalkyl, alkyl or amino. Examples of groups comprising Substituent B include aryl and heteroaryl. Also disclosed is a method of treating a chemokine mediated diseases, such as, cancer, angiogenisis, angiogenic ocular diseases, pulmonary diseases, multiple sclerosis, rheumatoid arthritis, osteoarthritis, stroke and ischemia reperfusion injury, pain (e.g., acute pain, acute and chronic inflammatory pain, and neuropathic pain) using a compound of formula IA.

  本发明涉及的是一种新型的化合物，其结构式如下：其中包括Substituent A和Substituent B，其药学上可接受的盐和溶剂化合物。Substituent A的基团包括杂环芳基、芳基、杂环烷基、环烷基、炔基、烯基、氨基烷基、烷基或氨基。Substituent B的基团包括芳基和杂环芳基。本发明还涉及一种治疗趋化因子介导疾病的方法，例如癌症、血管生成、眼部血管生成性疾病、肺部疾病、多发性硬化症、类风湿性关节炎、骨关节炎、中风和缺血再灌注损伤、疼痛（例如急性疼痛、急性和慢性炎症性疼痛和神经病理性疼痛），使用化合物IA的方法。
• Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands
  申请人：Taveras G. Arthur

  公开号：US20070264230A1

  公开（公告）日：2007-11-15

  Disclosed are novel compounds of the formula: and the pharmaceutically acceptable salts and solvates thereof. Examples of groups comprising Substituent A include heteroaryl, aryl, heterocycloalkyl, cycloalkyl, aryl, alkynyl, alkenyl, aminoalkyl, alkyl or amino. Examples of groups comprising Substituent B include aryl and heteroaryl. Also disclosed is a method of treating a chemokine mediated diseases, such as, cancer, angiogenisis, angiogenic ocular diseases, pulmonary diseases, multiple sclerosis, rheumatoid arthritis, osteoarthritis, stroke and cardiac reperfusion injury, acute pain, acute and chronic inflammatory pain, and neuropathic pain using a compound of formula IA.

  揭示了具有以下结构的新化合物：以及其药物可接受的盐和溶剂化物。包括取代基A的基团的例子包括杂环芳基，芳基，杂环烷基，环烷基，炔基，烯基，氨基烷基，烷基或氨基。包括取代基B的基团的例子包括芳基和杂环芳基。此外，还揭示了使用式IA的化合物治疗趋化因子介导的疾病的方法，例如，癌症，血管生成，血管生成性眼部疾病，肺部疾病，多发性硬化症，类风湿性关节炎，骨关节炎，中风和心脏再灌注损伤，急性疼痛，急性和慢性炎症性疼痛以及神经病理性疼痛。
• 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS
  申请人：Taveras Arthur G.

  公开号：US20090306079A1

  公开（公告）日：2009-12-10

  There are disclosed compounds of the formula or a pharmaceutically acceptable salt or solvate thereof which are useful for the treatment of chemokine-mediated diseases such as acute and chronic inflammatory disorders and cancer.

  公开了以下式子的化合物，或其药学上可接受的盐或溶剂，其对于化学因子介导的疾病如急慢性炎症性疾病和癌症的治疗是有用的。