[{3-[3-(cyclohexylcarbonyl)[1,1'-biphenyl]-4-yl]ethyl}-methylamino]-acetic acid | 868263-84-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [{3-[3-(cyclohexylcarbonyl)[1,1'-biphenyl]-4-yl]ethyl}-methylamino]-acetic acid
• 英文别名: {[2-(3-Cyclohexanecarbonyl-biphenyl-4-yloxy)-ethyl]-methyl-amino}-acetic acid；2-[2-[2-(cyclohexanecarbonyl)-4-phenylphenoxy]ethyl-methylamino]acetic acid
• CAS: 868263-84-7
• 化学式: C₂₄H₂₉NO₄
• 分子量: 395.499
• InChiKey: IMUMVNKMMHZVJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [{3-[3-(cyclohexylcarbonyl)[1,1'-biphenyl]-4-yl]ethyl}-methylamino]-acetic acid 在 三乙基硅烷 、 三氟乙酸 作用下， 生成 {[2-(3-cyclohexylmethylbiphenyl-4-yloxy)ethyl]-methylamino}-acetic acid
  参考文献：
  名称：

  Discovery and SAR studies of novel GlyT1 inhibitors

  摘要：

  Inhibition of the glycine transporter GlyTl is a potential strategy for the treatment of schizophrenia A novel series of GlyTl inhibitors and their structure-activity relationships (SAR) are described. Members of this series are highly potent and selective transport inhibitors which are shown to elevate glycine levels in cerebrospinal fluid. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.074
• 作为产物：
  描述：

  {[2-(3-cyclohexanecarbonylbiphenyl-4-yloxy)ethyl]-methylamino}-acetic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 [{3-[3-(cyclohexylcarbonyl)[1,1'-biphenyl]-4-yl]ethyl}-methylamino]-acetic acid
  参考文献：
  名称：

  Discovery and SAR studies of novel GlyT1 inhibitors

  摘要：

  Inhibition of the glycine transporter GlyTl is a potential strategy for the treatment of schizophrenia A novel series of GlyTl inhibitors and their structure-activity relationships (SAR) are described. Members of this series are highly potent and selective transport inhibitors which are shown to elevate glycine levels in cerebrospinal fluid. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.074

文献信息

• [EN] 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS<br/>[FR] DERIVES DE LA 2-ARYLOXYETHYL GLYCINE ET LEUR UTILISATION COMME INHIBITEURS DU TRANSPORT DE LA GLYCINE
  申请人：LILLY CO ELI

  公开号：WO2005100301A1

  公开（公告）日：2005-10-27

  The present invention relates to certain 2-aryloxyethyl glycine derivatives that exhibit activity as inhibitors of the glycine type-1 transporter, to pharmaceutical compositions containing them and to their use in the treatment of neurological and neuropsychiatric disorder.

  本发明涉及某些2-芳氧基乙基甘氨酸衍生物，它们作为甘氨酸类型-1转运体的抑制剂具有活性，涉及含有它们的药物组合物，以及它们在治疗神经学和神经精神障碍中的用途。
• Discovery and SAR studies of novel GlyT1 inhibitors
  作者：Magnus W. Walter、Beth J. Hoffman、Kimberly Gordon、Kirk Johnson、Patrick Love、Matthew Jones、Teresa Man、Lee Phebus、Jon K. Reel、Helene C. Rudyk、Harlan Shannon、Kjell Svensson、Hong Yu、Matthew J. Valli、Warren J. Porter

  DOI：10.1016/j.bmcl.2007.06.074

  日期：2007.9

  Inhibition of the glycine transporter GlyTl is a potential strategy for the treatment of schizophrenia A novel series of GlyTl inhibitors and their structure-activity relationships (SAR) are described. Members of this series are highly potent and selective transport inhibitors which are shown to elevate glycine levels in cerebrospinal fluid. (c) 2007 Elsevier Ltd. All rights reserved.