8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane] | 13375-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane]
• 英文别名: Nortropinon-aethylenketal；spiro[8-aza-bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane]；spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
• CAS: 13375-57-0
• 化学式: C₉H₁₅NO₂
• 分子量: 169.224
• InChiKey: AGYAUTGGRPUPMR-UHFFFAOYSA-N

物化性质

• 沸点：
  269.4±40.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane] 在 sodium hydroxide 、 硼烷四氢呋喃络合物 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 1-(2,5-difluoro-4-(8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane]-8-yl)benzyl)-3-(1H-indazol-4-yl)urea
  参考文献：
  名称：

  In Vitro Structure−Activity Relationship and In Vivo Characterization of 1-(Aryl)-3-(4-(amino)benzyl)urea Transient Receptor Potential Vanilloid 1 Antagonists

  摘要：

  The synthesis and structure-activity relationship of 1-(aryl)-3-(4-(amino)benzyl)urea transient receptor potential vanilloid 1 (TRPV1) antagonists are described. A variety of cyclic amine substituents are well tolerated at the 4-position of the benzyl group on compounds containing either an isoquinoline or indazole heterocyclic core. These compounds are potent antagonists of capsaicin activation of the TRPV1 receptor in vitro. Analogues, such as compound 45, have been identified that have good in vivo activity in animal models of pain. Further optimization of 45 resulted in compound 58 with substantially improved microsome stability and oral bioavailability, as well as in vivo activity.

  DOI：

  10.1021/jm070276i
• 作为产物：
  描述：

  N-乙氧羰基-4-托品酮 在 氢氧化钾 、 对甲苯磺酸 、 一水合肼 、 乙二醇 作用下， 以 甲苯 为溶剂， 反应 18.0h， 生成 8-azaspiro[bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane]
  参考文献：
  名称：

  In Vitro Structure−Activity Relationship and In Vivo Characterization of 1-(Aryl)-3-(4-(amino)benzyl)urea Transient Receptor Potential Vanilloid 1 Antagonists

  摘要：

  The synthesis and structure-activity relationship of 1-(aryl)-3-(4-(amino)benzyl)urea transient receptor potential vanilloid 1 (TRPV1) antagonists are described. A variety of cyclic amine substituents are well tolerated at the 4-position of the benzyl group on compounds containing either an isoquinoline or indazole heterocyclic core. These compounds are potent antagonists of capsaicin activation of the TRPV1 receptor in vitro. Analogues, such as compound 45, have been identified that have good in vivo activity in animal models of pain. Further optimization of 45 resulted in compound 58 with substantially improved microsome stability and oral bioavailability, as well as in vivo activity.

  DOI：

  10.1021/jm070276i

文献信息

• 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND
  申请人：Kuribayashi Takeshi

  公开号：US20110112103A1

  公开（公告）日：2011-05-12

  The present invention provides compounds which promote erythropoietin production. Compounds represented by the following general formula (1) or pharmacologically acceptable salts thereof are provided: [wherein, R 1 represents a group —X-Q 1 , X-Q 1 -Y-Q 2 or X-Q 1 -Y-Q 2 -Z-Q 3 , X represents a single bond, —CH 2 — or the like, Q 1 represents a monocyclic or bicyclic heterocyclic group which may have substituent(s), Y represents a single bond, —CH 2 —, or the like, Q 2 represents a monocyclic or bicyclic hydrocarbon ring group which may have substituent(s) or a monocyclic or bicyclic heterocyclic group which may have substituent(s), Z represents a single bond, —CR 11 R 12 — or the like, R 11 and R 12 each independently represents a hydrogen atom, a halogen atom or the like, Q 3 represents a phenyl group which may have substituent(s), a C 3 -C 7 cycloalkyl group which may have substituent(s), a C 3 -C 7 cycloalkenyl group which may have substituent(s) or a monocyclic or bicyclic heterocyclic group which may have substituent(s), R 2 represents a C 1 -C 3 alkyl group or the like, and R 3 represents a hydrogen atom or a methyl group].

  本发明提供促进促红细胞生成素产生的化合物。提供以下一般式（1）表示的化合物或其药理学上可接受的盐： [其中，R 1 表示一个基团-X-Q 1 ，X-Q 1 -Y-Q 2 或X-Q 1 -Y-Q 2 -Z-Q 3 ，X表示一个单键，-CH 2 -或类似物，Q 1 表示可能具有取代基的单环或双环杂环基团，Y表示一个单键，-CH 2 -或类似物，Q 2 表示可能具有取代基的单环或双环碳氢环基团或可能具有取代基的单环或双环杂环基团，Z表示一个单键，-CR 11 R 12 -或类似物，R 11 和R 12 各自独立地表示氢原子、卤素原子或类似物，Q 3 表示可能具有取代基的苯基团，可能具有取代基的C 3 -C 7 环烷基团，可能具有取代基的C 3 -C 7 环烯基团或可能具有取代基的单环或双环杂环基团，R 2 表示C 1 -C 3 烷基团或类似物，R 3 表示氢原子或甲基基团]。
• INHIBITORS OF POLO-LIKE KINASE
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：US20130231335A1

  公开（公告）日：2013-09-05

  The present invention provides compounds having a structure according to Formula (I): or a salt or solvate thereof, wherein ring A, X, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 , are defined herein. The invention further provides pharmaceutical compositions including the compounds of the invention and methods of making and using the compounds and compositions of the invention, e.g., in the treatment and prevention of various disorders, such as Parkinson's disease.

  本发明提供具有以下式子（I）的结构的化合物，或其盐或溶剂，其中，环A、X、R1、R2、R3、R4、R5和R6在此定义。本发明还提供包括本发明化合物的制药组合物以及本发明化合物和组合物的制备和使用方法，例如，在治疗和预防各种疾病，如帕金森病方面的应用。
• 红外荧光染料及其应用
  申请人：华东理工大学

  公开号：CN117658973A

  公开（公告）日：2024-03-08

  本发明提供一种红外荧光染料及其应用。具体地，本发明提供下式A所示的化合物，式中，R1～R17和A‑的定义如文中所定义。本发明的染料分子的最大吸收波长分布在740nm‑838nm，在近红外区间有较大范围的均匀分布，并且表现出了优异的荧光亮度和光稳定性，优于领域中其它类别的有机小分子近红外荧光染料。#imgabs0#
• Discovery of a novel series of 6-azauracil-based thyroid hormone receptor ligands: potent, TRβ subtype-selective thyromimetics
  作者：Robert L. Dow、Steven R. Schneider、Ernest S. Paight、Richard F. Hank、Phoebe Chiang、Peter Cornelius、Eunsun Lee、William P. Newsome、Andrew G. Swick、Josephine Spitzer、Diane M. Hargrove、Terrell A. Patterson、Jayvardhan Pandit、Boris A. Chrunyk、Peter K. LeMotte、Dennis E. Danley、Michele H. Rosner、Mark J. Ammirati、Samuel P. Simons、Gayle K. Schulte、Bonnie F. Tate、Paul DaSilva-Jardine

  DOI：10.1016/s0960-894x(02)00947-2

  日期：2003.2

  In this communication, we wish to describe the discovery of a novel series of 6-azauracil-based thyromimetics that possess up to 100-fold selectivities for binding and functional activation of the beta(1)-isoform of the thyroid receptor family. Structure-activity relationship studies on the 3,5- and 3'-positions provided compounds with enhanced TRbeta affinity and selectivity. Key binding interactions between the 6-azauracil moiety and the receptor have been determined through of X-ray crystallographic analysis. (C) 2002 Elsevier Science Ltd. All rights reserved.
• 6-azauracil derivatives as thyroid receptor ligands
  申请人：Pfizer Products Inc.

  公开号：EP1088819B1

  公开（公告）日：2005-06-15