(20R)-19,20,21,22-Tetrahydro-18,20,21-trimethyl-19-oxo-5H-12,14-etheno-6,10-metheno-18H-benz[d]imidazo[4,3-k][1,6,9,12]oxatriazacyclooctadecine-9-carbonitrile

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (20R)-19,20,21,22-Tetrahydro-18,20,21-trimethyl-19-oxo-5H-12,14-etheno-6,10-metheno-18H-benz[d]imidazo[4,3-k][1,6,9,12]oxatriazacyclooctadecine-9-carbonitrile
• 英文别名: (16R)-15,16,18-trimethyl-17-oxo-2-oxa-9,11,15,18-tetrazapentacyclo[17.6.2.13,7.09,13.023,27]octacosa-1(26),3,5,7(28),10,12,19,21,23(27),24-decaene-4-carbonitrile
• 化学式: C₂₇H₂₅N₅O₂
• 分子量: 451.528
• InChiKey: UJRNHAPUICJBGE-GOSISDBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  74.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-氨基-7-萘酚 在 盐酸 、 lithium aluminium tetrahydride 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 sodium hydride 、 sodium cyanoborohydride 、 caesium carbonate 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 (20R)-19,20,21,22-Tetrahydro-18,20,21-trimethyl-19-oxo-5H-12,14-etheno-6,10-metheno-18H-benz[d]imidazo[4,3-k][1,6,9,12]oxatriazacyclooctadecine-9-carbonitrile
  参考文献：
  名称：

  Evaluation of amino acid-based linkers in potent macrocyclic inhibitors of farnesyl-protein transferase

  摘要：

  A series of amino acid-based linkers was used to investigate the effects of various substituents upon the potency, pharmacokinetic properties, and conformation of macrocyclic farnesyl-protein transferase inhibitors (FTIs). As a result of the studies described herein, highly potent FTIs with improved pharmacokinetic profiles have been identified. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00340-7

文献信息

• US6410534B1
  申请人：——

  公开号：US6410534B1

  公开（公告）日：2002-06-25
• Evaluation of amino acid-based linkers in potent macrocyclic inhibitors of farnesyl-protein transferase
  作者：Douglas C Beshore、Ian M Bell、Christopher J Dinsmore、Carl F Homnick、J.Christopher Culberson、Ronald G Robinson、Christine Fernandes、Eileen S Walsh、Marc T Abrams、Hema G Bhimnathwala、Joseph P Davide、Michelle S Ellis-Hutchings、Hans A Huber、Kenneth S Koblan、Carolyn A Buser、Nancy E Kohl、Robert B Lobell、I-Wu Chen、Debra A McLoughlin、Timothy V Olah、Samuel L Graham、George D Hartman、Theresa M Williams

  DOI：10.1016/s0960-894x(01)00340-7

  日期：2001.7

  A series of amino acid-based linkers was used to investigate the effects of various substituents upon the potency, pharmacokinetic properties, and conformation of macrocyclic farnesyl-protein transferase inhibitors (FTIs). As a result of the studies described herein, highly potent FTIs with improved pharmacokinetic profiles have been identified. (C) 2001 Elsevier Science Ltd. All rights reserved.