4-(2,3-Dihydro-1H-indol-7-yl)-piperazine-1-carboxylic acid tert-butyl ester | 444620-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(2,3-Dihydro-1H-indol-7-yl)-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: 1-Piperazinecarboxylic acid,4-(2,3-dihydro-1h-indol-7-yl)-,1,1-dimethylethyl ester；tert-butyl 4-(2,3-dihydro-1H-indol-7-yl)piperazine-1-carboxylate
• CAS: 444620-76-2
• 化学式: C₁₇H₂₅N₃O₂
• 分子量: 303.404
• InChiKey: PDGHFZRBOPGNGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2,3-Dihydro-1H-indol-7-yl)-piperazine-1-carboxylic acid tert-butyl ester 在 盐酸 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 生成 (R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(1-methanesulfonyl-2,3-dihydro-1H-indol-7-yl)-piperazin-1-yl]-2-oxo-ethyl}-amide
  参考文献：
  名称：

  Privileged structure-based ligands for melanocortin receptors—tetrahydroquinolines, indoles, and aminotetralines

  摘要：

  Substitution of the aryl sulfonamide moiety contained in MC4 agonist 1 with bicyclic heterocycles and aminotetralines produced compounds with MC4 activity. The heterocycles represent alternative privileged structures to that contained in 1. Compounds in which the polar group of the privileged structure was displayed in an endocyclic fashion were not as active as the parent agonist 1, while those with an exocyclic polar group afforded activity competitive with 1. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.035
• 作为产物：
  描述：

  tert-butyl 4-(1H-indol-7-yl)piperazine-1-carboxylate 在 sodium cyanoborohydride 作用下， 生成 4-(2,3-Dihydro-1H-indol-7-yl)-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Privileged structure-based ligands for melanocortin receptors—tetrahydroquinolines, indoles, and aminotetralines

  摘要：

  Substitution of the aryl sulfonamide moiety contained in MC4 agonist 1 with bicyclic heterocycles and aminotetralines produced compounds with MC4 activity. The heterocycles represent alternative privileged structures to that contained in 1. Compounds in which the polar group of the privileged structure was displayed in an endocyclic fashion were not as active as the parent agonist 1, while those with an exocyclic polar group afforded activity competitive with 1. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.035

文献信息

• [EN] SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS<br/>[FR] IMIDAZOPYRIDAZINES SUBSTITUÉES UTILES EN TANT QU'INHIBITEURS DE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009100375A1

  公开（公告）日：2009-08-13

  The invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I imidazopyridazines inhibit protein kinase activity thereby making them useful as anticancer agents.

  这项发明提供了式I的化合物及其药用盐。式I的咪唑吡啶嗪抑制蛋白激酶活性，因此使它们作为抗癌药物有用。
• Substituted piperidines/piperazines as melanocortin receptor agonists
  申请人：——

  公开号：US20040058936A1

  公开（公告）日：2004-03-25

  The present invention relates to melanocortin receptor agonists of formula I, which is useful in the treatment of obesity, diabetes and male and/or female sexual dysfunction. 1

  本发明涉及公式I的黑色素细胞激素受体激动剂，其在肥胖症、糖尿病和男性和/或女性性功能障碍的治疗中有用。1
• SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS
  申请人：Eli Lilly & Company

  公开号：EP1368339A1

  公开（公告）日：2003-12-10
• US7157463B2
  申请人：——

  公开号：US7157463B2

  公开（公告）日：2007-01-02
• [EN] SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS<br/>[FR] PIPERIDINES/PIPERAZINES SUBSTITUEES UTILISEES COMME AGONISTES DU RECEPTEUR DE MELANOCORTINE
  申请人：LILLY CO ELI

  公开号：WO2002059107A1

  公开（公告）日：2002-08-01

  The present invention relates to melanocortin receptor agonists of formula I, which is useful in the treatment of obesity, diabetes and male and/or female sexual dysfunction.