N-(5-{(2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-[2-(1H-indol-3-yl)-ethoxy]-tetrahydro-pyran-2-ylmethoxy}-pentyl)-acetamide | 144191-86-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(5-{(2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-[2-(1H-indol-3-yl)-ethoxy]-tetrahydro-pyran-2-ylmethoxy}-pentyl)-acetamide
• 英文别名: N-[5-[[(2R,3R,4S,5R,6R)-6-[2-(1H-indol-3-yl)ethoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]pentyl]acetamide
• CAS: 144191-86-6
• 化学式: C₄₄H₅₂N₂O₇
• 分子量: 720.906
• InChiKey: UKUYENQXMPMPMC-LUKFIAJXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  53
• 可旋转键数：
  21
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  色醇 在 咪唑 、 sodium hydroxide 、 2,6-二叔丁基-4-甲基吡啶 、 4 A molecular sieve 、 四丁基氟化铵 、 sodium methylate 、 四丁基碘化铵 、 sodium hydride 、 silver(l) oxide 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 177.0h， 生成 N-(5-{(2R,3R,4S,5R,6R)-3,4,5-Tris-benzyloxy-6-[2-(1H-indol-3-yl)-ethoxy]-tetrahydro-pyran-2-ylmethoxy}-pentyl)-acetamide
  参考文献：
  名称：

  Hirschmann, Ralph; Nicolaou; Pietranico, Sherrie, Journal of the American Chemical Society, 1993, vol. 115, # 26, p. 12550 - 12568

  摘要：

  DOI：

文献信息

• Nonpeptidal peptidomimetics with .beta.-D-glucose scaffolding. A partial somatostatin agonist bearing a close structural relationship to a potent, selective substance P antagonist
  作者：Ralph Hirschmann、K. C. Nicolaou、Sherrie Pietranico、Joseph Salvino、Ellen M. Leahy、Paul A. Sprengeler、George Furst、Catherine D. Strader、Amos B. Smith

  DOI：10.1021/ja00049a081

  日期：1992.11
• Novel Method
  申请人：Ferrari Giulio

  公开号：US20140128395A1

  公开（公告）日：2014-05-08

  There is provided inter alia a compound which is an NK-1 receptor antagonist for use in the treatment or prevention of CNV. There is also provided a compound which is an NK-1 antagonist for use in the treatment of chemical burns of the eye particularly alkali burns of the eye. There is also provided a pharmaceutical composition for topical administration to the eye comprising an NK-1 antagonist and an antibiotic agent.
• TREATMENT OF CORNEAL NEOVASCULARIZATION
  申请人：IRBM SCIENCE PARK S.p.A.

  公开号：US20180021327A1

  公开（公告）日：2018-01-25

  There is provided inter alia a compound which is an NK-1 receptor antagonist for use in the treatment or prevention of CNV. There is also provided a compound which is an NK-1 antagonist for use in the treatment of chemical burns of the eye particularly alkali burns of the eye. There is also provided a pharmaceutical composition for topical administration to the eye comprising an NK-1 antagonist and an antibiotic agent.
• NK-1 ANTAGONISTS FOR USE IN THE TREATMENT OF OCULAR PAIN
  申请人：OSPEDALE SAN RAFFAELE S.R.L.

  公开号：US20210015834A1

  公开（公告）日：2021-01-21

  The invention relates to compounds, in particular NK-1 antagonists, for use in the treatment of ocular sensitivity and/or ocular pain.
• US9782397B2
  申请人：——

  公开号：US9782397B2

  公开（公告）日：2017-10-10