2-amino-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-1-one | 178261-20-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-amino-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-1-one
• CAS: 178261-20-6
• 化学式: C₂₃H₂₉N₃O₄S
• 分子量: 443.567
• InChiKey: KYGJZARUWQDKNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-amino-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-1-one 在 sodium tetrahydroborate 、 magnesium sulfate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-[(3-fluorophenyl)methylamino]-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-1-one
  参考文献：
  名称：

  Serine derived NK1 antagonists 1: The effect of modifications to the serine substituents

  摘要：

  A series of novel serine derived NK, antagonists is described. The effect of variations in the N-benzyl, O-benzyl and serine groups are used to define the elements which are necessary for binding. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00320-5
• 作为产物：
  描述：

  O-benzyl-N-(tert-butoxycarbonyl)serine 在 盐酸 、 双(2-氧代-3-恶唑烷基)次磷酰氯 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-amino-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3-phenylmethoxypropan-1-one
  参考文献：
  名称：

  Serine derived NK1 antagonists 1: The effect of modifications to the serine substituents

  摘要：

  A series of novel serine derived NK, antagonists is described. The effect of variations in the N-benzyl, O-benzyl and serine groups are used to define the elements which are necessary for binding. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00320-5

文献信息

• Methods of treating emesis using growth hormone secretagogues
  申请人：Mann William R.

  公开号：US20080300194A1

  公开（公告）日：2008-12-04

  The present invention relates to methods of treating or preventing emesis and improving a subject's ASAS score by administering to the subject an effective amount of a growth hormone secretagogue compound or a pharmaceutically acceptable salt, hydrate or solvate thereof.
• Serine derived NK1 antagonists 1: The effect of modifications to the serine substituents
  作者：J.M. Elliott、M.A. Cascieri、G. Chicchi、S. Davies、F.J. Kelleher、M. Kurtz、T. Ladduwahetty、R.T. Lewis、A.M. MacLeod、K.J. Merchant、S. Sadowski、G.I. Stevenson

  DOI：10.1016/s0960-894x(98)00320-5

  日期：1998.7

  A series of novel serine derived NK, antagonists is described. The effect of variations in the N-benzyl, O-benzyl and serine groups are used to define the elements which are necessary for binding. (C) 1998 Elsevier Science Ltd. All rights reserved.