Cyclohexanecarboxamide,4-(3-bromo-4-pyridinyl)-N-[5-(2-fluorophenyl)-2-pyrimidinyl]-4-hydroxy-,trans- | 494802-25-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Cyclohexanecarboxamide,4-(3-bromo-4-pyridinyl)-N-[5-(2-fluorophenyl)-2-pyrimidinyl]-4-hydroxy-,trans-
• CAS: 494802-25-4
• 化学式: C₂₂H₂₀BrFN₄O₂
• 分子量: 471.329
• InChiKey: NGHGCBYCATXYTA-CAJLXGCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  88.0
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Cyclohexanecarboxamide,4-(3-bromo-4-pyridinyl)-N-[5-(2-fluorophenyl)-2-pyrimidinyl]-4-hydroxy-,trans- 、 单氧化(~11~C)碳 在 四(三苯基膦)钯 作用下， 生成 (1r,4r)-N-(5-(2-fluorophenyl)pyrimidin-2-yl)-3'-oxo-3'H-spiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3'-11C-4-carboxamide
  参考文献：
  名称：

  Identification of positron emission tomography ligands for NPY Y5 receptors in the brain

  摘要：

  A series of trans-3-oxospiro[(aza)isobenzofuran-1(3H),1'-cyclohexane]-4'-carboxamide derivatives were synthesized and profiled for NPY Y5 binding affinity, brain and CSF penetrability in rats, and susceptibility to human and mouse P-glycoprotein transporters in order to develop a PET ligand. Compound 12b exhibited an acceptable profile for a PET ligand, and [C-11]12b was successfully utilized in clinical settings as a Y5 PET ligand. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.103
• 作为产物：
  描述：

  2-amino-5-(2-fluorophenyl)pyrimidine 、 在 吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 氯仿 为溶剂， 生成 Cyclohexanecarboxamide,4-(3-bromo-4-pyridinyl)-N-[5-(2-fluorophenyl)-2-pyrimidinyl]-4-hydroxy-,trans-
  参考文献：
  名称：

  Identification of positron emission tomography ligands for NPY Y5 receptors in the brain

  摘要：

  A series of trans-3-oxospiro[(aza)isobenzofuran-1(3H),1'-cyclohexane]-4'-carboxamide derivatives were synthesized and profiled for NPY Y5 binding affinity, brain and CSF penetrability in rats, and susceptibility to human and mouse P-glycoprotein transporters in order to develop a PET ligand. Compound 12b exhibited an acceptable profile for a PET ligand, and [C-11]12b was successfully utilized in clinical settings as a Y5 PET ligand. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.103

文献信息

• Radiolabeled neuropeptide y y5 receptor antagonists
  申请人：——

  公开号：US20040192705A1

  公开（公告）日：2004-09-30

  The present invention is directed to radiolabeled neuropeptide Y Y5 receptor antagonists which are useful for the labeling and diagnostic imaging of neuropeptide Y Y5 receptors in mammals.

  本发明涉及放射性标记的神经肽Y Y5受体拮抗剂，可用于哺乳动物神经肽Y Y5受体的标记和诊断成像。
• RADIOLABELED NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS
  申请人：Merck & Co., Inc.

  公开号：EP1470129B1

  公开（公告）日：2009-01-28
• US6939966B2
  申请人：——

  公开号：US6939966B2

  公开（公告）日：2005-09-06