tert-butyl (S)-(1-((2-(benzyloxy)-1-(1-(2-(3-((4-hydroxybutyl)carbamoyl)phenoxy)ethyl)-1H-tetrazol-5-yl)ethyl)amino)-2-methyl-1-oxopropan-2-yl)carbamate | 1031421-67-6

• 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: tert-butyl (S)-(1-((2-(benzyloxy)-1-(1-(2-(3-((4-hydroxybutyl)carbamoyl)phenoxy)ethyl)-1H-tetrazol-5-yl)ethyl)amino)-2-methyl-1-oxopropan-2-yl)carbamate
• CAS: 1031421-67-6
• 化学式: C₃₂H₄₅N₇O₇
• 分子量: 639.752
• InChiKey: OAQQBGKTLBVIPL-AREMUKBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.93
• 重原子数：
  46.0
• 可旋转键数：
  17.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  178.82
• 氢给体数：
  4.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (S)-(1-((2-(benzyloxy)-1-(1-(2-(3-((4-hydroxybutyl)carbamoyl)phenoxy)ethyl)-1H-tetrazol-5-yl)ethyl)amino)-2-methyl-1-oxopropan-2-yl)carbamate 生成 3-[2-[5-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]tetrazol-1-yl]ethoxy]-N-(4-hydroxybutyl)benzamide
  参考文献：
  名称：

  Tetrazole based amides as growth hormone secretagogues

  摘要：

  A novel series of N1 substituted tetrazole amides were prepared and showed to be potent growth hormone (GH) secretagogues. Among them, hydroxyl containing analog 31 displayed excellent in vivo activity by increasing plasma GH 10-fold in an anesthetized IV rat model. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.059
• 作为产物：
  描述：

  4-氨基-1-丁醇 、 (S)-3-(2-(5-(7,7,11,11-tetramethyl-6,9-dioxo-1-phenyl-2,10-dioxa-5,8-diazadodecan-4-yl)-1H-tetrazol-1-yl)ethoxy)benzoic acid 在 N-羟基-7-氮杂苯并三氮唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 tert-butyl (S)-(1-((2-(benzyloxy)-1-(1-(2-(3-((4-hydroxybutyl)carbamoyl)phenoxy)ethyl)-1H-tetrazol-5-yl)ethyl)amino)-2-methyl-1-oxopropan-2-yl)carbamate
  参考文献：
  名称：

  Tetrazole based amides as growth hormone secretagogues

  摘要：

  A novel series of N1 substituted tetrazole amides were prepared and showed to be potent growth hormone (GH) secretagogues. Among them, hydroxyl containing analog 31 displayed excellent in vivo activity by increasing plasma GH 10-fold in an anesthetized IV rat model. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.059