(2-Pyrrolidin-1-ylethyl)(1,4-dioxaspiro[4.5]dec-8-yl)amine | 877121-60-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-Pyrrolidin-1-ylethyl)(1,4-dioxaspiro[4.5]dec-8-yl)amine
• 英文别名: N-[2-(Pyrrolidin-1-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine；N-(2-pyrrolidin-1-ylethyl)-1,4-dioxaspiro[4.5]decan-8-amine
• CAS: 877121-60-3
• 化学式: C₁₄H₂₆N₂O₂
• mdl: MFCD11159857
• 分子量: 254.373
• InChiKey: TYMUWNIICFLNLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  33.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[4-(4-fluorophenylamino)pyrimidin-2-ylamino]benzenesulfonyl chloride hydrochloride 、 (2-Pyrrolidin-1-ylethyl)(1,4-dioxaspiro[4.5]dec-8-yl)amine 以1.3 g of expected product are thus obtained的产率得到N-1,4-dioxaspiro[4.5]dec-8-yl-4-({4-[(4-fluorophenyl)amino]pyrimidin-2-yl}amino)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
  参考文献：
  名称：

  Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors

  摘要：

  本公开涉及式(I)的化合物：其中R1-R5，A和Y如本公开所定义，以及包含所述化合物的组合物，制备所述化合物的方法和使用它们的方法。

  公开号：

  US20080269170A1
• 作为产物：
  描述：

  1-(2-氨乙基)吡咯烷 、 1,4-环己二酮单乙二醇缩酮 生成 (2-Pyrrolidin-1-ylethyl)(1,4-dioxaspiro[4.5]dec-8-yl)amine
  参考文献：
  名称：

  Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors

  摘要：

  本公开涉及式(I)的化合物：其中R1-R5，A和Y如本公开所定义，以及包含所述化合物的组合物，制备所述化合物的方法和使用它们的方法。

  公开号：

  US20080269170A1

文献信息

• [EN] HETEROCYCLYLS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS<br/>[FR] NOUVEAUX HETEROCYCLYLES UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR DE L'HORMONE CONCENTRANT LA MELANINE POUR LE TRAITEMENT DE L'OBESITE ET DE TROUBLES ASSOCIES
  申请人：SCHERING CORP

  公开号：WO2006019957A3

  公开（公告）日：2006-04-27
• Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors
  申请人：Bosch Michael

  公开号：US20080269170A1

  公开（公告）日：2008-10-30

  The disclosure relates to compounds of formula (I): wherein R1-R5, A and Y are as defined in the disclosure, to compositions comprising said compounds, and to processes for making and methods of using the same.

  该披露涉及到式(I)的化合物：其中R1-R5、A和Y如披露中所定义，以及包含该化合物的组合物，以及制备该化合物的方法和使用该化合物的方法。
• SAR study of bicyclo[4.1.0]heptanes as melanin-concentrating hormone receptor R1 antagonists: Taming hERG
  作者：Jing Su、Brian A. McKittrick、Haiqun Tang、Duane A. Burnett、John W. Clader、William J. Greenlee、Brian E. Hawes、Kim O’Neill、Brian Spar、Blair Weig、Timothy Kowalski、Steve Sorota、Cheng Li、Tongtong Liu

  DOI：10.1016/j.bmc.2007.05.068

  日期：2007.8

  To improve the ex vivo potency of MCH inhibitor la and to address its hERG liability, a structure-activity study was carried out, focusing on three regions of the lead structure. Introduction of new side chains with basic nitrogen improved in vitro and ex vivo bindings. Many potent compounds with K-i < 10 nM were discovered (compounds 6a-j) and several Compounds (14-17) had excellent ex vivo binding at 6 h and 24 h. Attenuating the basicity of nitrogen on the side chain, and in particular, introduction of a polar group such as aminomethyl on the distal phenyl ring significantly lowered the hERG activity. Further replacement of the distal phenyl group with heteroaryl groups in the cyclohexene series provided compounds such as 281 with excellent ex vivo activity with much reduced hERG liability. (c) 2007 Elsevier Ltd. All rights reserved.