tert-butyl (R)-3-(((1S,2S,4R)-1-(((2,3-dihydrospiro[indene-1,4'-piperidin]-1'-yl)sulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl)carbamoyl)piperidine-1-carboxylate | 179615-55-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: tert-butyl (R)-3-(((1S,2S,4R)-1-(((2,3-dihydrospiro[indene-1,4'-piperidin]-1'-yl)sulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl)carbamoyl)piperidine-1-carboxylate
• CAS: 179615-55-5
• 化学式: C₃₄H₅₁N₃O₅S
• 分子量: 613.862
• InChiKey: PTWRDQBYKYLULY-UBEIKZCGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  43.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  96.02
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (R)-3-(((1S,2S,4R)-1-(((2,3-dihydrospiro[indene-1,4'-piperidin]-1'-yl)sulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl)carbamoyl)piperidine-1-carboxylate 在 aluminum oxide 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 18.5h， 生成
  参考文献：
  名称：

  Synthesis and biological activities of camphor-based non-peptide growth hormone secretagogues

  摘要：

  The synthesis and growth hormone (GH) releasing activities of a novel series of camphor-based non-peptide GH secretagogues is presented. Use of the (R)-nipecotic acid amino side-chain and N-terminal derivatization of it with an (R)-(2-hydroxy)propyl group provided a potent secretagogue 18 (EC(50) = 90 nM). An o-tolyl piperazine was identified as a good replacement for the spiroindanyl piperidine. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00213-2
• 作为产物：
  描述：

  (1S)-1'-<<(7,7-dimethyl-2-oxobicyclo<2.2.1>hept-1-yl)methyl>-sulfonyl>spiro(1H-indene-1,4'-piperidine) 在 镍 吡啶 、 盐酸羟胺 、 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 30.0h， 生成 tert-butyl (R)-3-(((1S,2S,4R)-1-(((2,3-dihydrospiro[indene-1,4'-piperidin]-1'-yl)sulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-yl)carbamoyl)piperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis and biological activities of camphor-based non-peptide growth hormone secretagogues

  摘要：

  The synthesis and growth hormone (GH) releasing activities of a novel series of camphor-based non-peptide GH secretagogues is presented. Use of the (R)-nipecotic acid amino side-chain and N-terminal derivatization of it with an (R)-(2-hydroxy)propyl group provided a potent secretagogue 18 (EC(50) = 90 nM). An o-tolyl piperazine was identified as a good replacement for the spiroindanyl piperidine. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00213-2