2-cyclohexyl-6-{[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]carbonyl}-1,3-benzoxazole | 1191280-28-0

• 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: 2-cyclohexyl-6-{[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]carbonyl}-1,3-benzoxazole
• 英文别名: (2-Cyclohexyl-1,3-Benzoxazol-6-Yl){3-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]azetidin-1-Yl}methanone；(2-cyclohexyl-1,3-benzoxazol-6-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
• CAS: 1191280-28-0
• 化学式: C₂₅H₃₀N₆O₂
• 分子量: 446.552
• InChiKey: IABLYMUVWHQTGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  78.6
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS
  申请人：Janssen Pharmaceutica, NV

  公开号：US20130184251A1

  公开（公告）日：2013-07-18

  Disclosed are compounds, compositions and methods for treating diseases, syndromes, conditions and disorders that are affected by the inhibition of MGL, including pain. Such compounds are represented by Formula (I) as follows: wherein Y, r, R2 and Z are defined herein.

  本发明涉及一种化合物、组合物和治疗方法，用于治疗受到MGL抑制影响的疾病、综合征、病况和紊乱，包括疼痛。这些化合物由以下式子（I）所表示：其中Y、r、R2和Z的定义如下。
• HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR
  申请人：Janssen Pharmaceutica N.V.

  公开号：EP2421852B1

  公开（公告）日：2014-05-21
• CRYSTAL STRUCTURE OF MONOACYLGLYCEROL LIPASE (MGLL)
  申请人：SCHUBERT CARSTEN

  公开号：US20090269785A1

  公开（公告）日：2009-10-29

  A number of soluble engineered forms of MGLL that are suitable for high-throughput screening and protein crystallization, as well as a crystallized form of monoacylglycerol lipase protein (MGLL) and descriptions of the X-ray diffraction patterns are disclosed. The engineered constructs of MGLL permit the expression and purification of protein suitable for crystallography or high-throughput screening and identification of ligands, which can function as active agents to MGLL. The X-ray diffraction patterns allow the three dimensional structure of MGLL to be determined at atomic resolution so that ligand binding sites on MGLL can be identified and the interactions of ligands with MGLL amino acid residues can be modeled. Models prepared using such maps permit the design of ligands which can function as active agents which include, but are not limited to, those that function as inhibitors of MGLL.
• ALTERNATIVE CRYSTAL FORM OF MONOACYLGLYCEROL LIPASE (MGLL)
  申请人：Schubert Carsten

  公开号：US20100093009A1

  公开（公告）日：2010-04-15

  A number of soluble engineered forms of MGLL that are suitable for high-throughput screening and protein crystallization, as well as a crystallized forms of monoacylglycerol lipase protein (MGLL) and descriptions of the X-ray diffraction patterns are disclosed. The engineered constructs of MGLL permit the expression and purification of protein suitable for crystallography or high-throughput screening and identification of ligands, which can function as active agents to MGLL. The X-ray diffraction patterns allow the three dimensional structure of MGLL to be determined at atomic resolution so that ligand binding sites on MGLL can be identified and the interactions of ligands with MGLL amino acid residues can be modeled. Models prepared using such maps permit the design of ligands which can function as active agents which include, but are not limited to, those that function as inhibitors of MGLL.
• US8080400B2
  申请人：——

  公开号：US8080400B2

  公开（公告）日：2011-12-20