2-oxaspiro[4.5]decan-8-one ethylene ketal | 109006-15-7

• 英文名称: 2-oxaspiro[4.5]decan-8-one ethylene ketal
• 英文别名: 1,4,10-trioxadispiro[4.2.4.2]tetradecane；3,9,12-trioxadispiro[4.2.48.25]tetradecane
• CAS: 109006-15-7
• 化学式: C₁₁H₁₈O₃
• 分子量: 198.262
• InChiKey: GJMHGTFFOQWFGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 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：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-oxaspiro[4.5]decan-8-one ethylene ketal 在 盐酸 作用下， 以 水 、 丙酮 为溶剂， 反应 1.0h， 生成 2-氧杂螺[4.5]癸烷-8-酮
  参考文献：
  名称：

  CARBOXAMIDE DERIVATIVES

  摘要：

  本发明提供了化合物(I)或其药学上可接受的盐； 一种制造本发明化合物的方法，以及其治疗用途。本发明还提供了药理活性剂的组合和药物组成。

  公开号：

  US20150329529A1
• 作为产物：
  描述：

  2-[8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]ethanol 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 以78%的产率得到2-oxaspiro[4.5]decan-8-one ethylene ketal
  参考文献：
  名称：

  Property- and Structure-Guided Discovery of a Tetrahydroindazole Series of Interleukin-2 Inducible T-Cell Kinase Inhibitors

  摘要：

  Interleukin-2 inducible T-cell kinase (ITK), a member of the Tec family of tyrosine kinases, plays a major role in T-cell signaling downstream of the T-cell receptor (TCR), and considerable efforts have been directed toward discovery of ITK-selective inhibitors as potential treatments of inflammatory disorders such as asthma. Using a previously disclosed indazole series of inhibitors as a starting point, and using X-ray crystallography and solubility forecast index (SFI) as guides, we evolved a series of tetrahydroindazole inhibitors with improved potency, selectivity, and pharmaceutical properties. Highlights include identification of a selectivity pocket above the ligand plane, and identification of appropriate lipophilic substituents to occupy this space. This effort culminated in identification of a potent and selective ITK inhibitor (GNE-9822) with good ADME properties in preclinical species.

  DOI：

  10.1021/jm500550e

文献信息

• Analgesic 2-oxa-spirocyclic compounds
  申请人：The Upjohn Company

  公开号：US04588591A1

  公开（公告）日：1986-05-13

  Analgesic 2-oxa-spirocyclic compounds of the formula ##STR1## where the wavy line bonds, p, n, m, A, q, X, Y, R, R.sub.1, R.sub.2 and E are as defined in the specification, e.g., trans-4-bromo-N-methyl-N-[7-(1-pyrrolidinyl)-2-oxaspiro[4.5]dec-8-yl]benza mide, and trans-3,4-dichloro-N-methyl-N-[7-(1-pyrrolidinyl)-2-oxaspiro[4.5]dec-8-yl] benzeneacetamide, and acid addition salts thereof. Pharmaceutical compositions and methods of using these compounds as analgesics are disclosed. Processes for preparing the class of compounds are also disclosed.

  镇痛药2-氧代螺环化合物的化学式为##STR1##其中波浪线键，p，n，m，A，q，X，Y，R，R.sub.1，R.sub.2和E的定义如规范中所述，例如，trans-4-溴-N-甲基-N-[7-(1-吡咯烷基)-2-氧代螺[4.5]癸-8-基]苯甲酰胺，以及trans-3,4-二氯-N-甲基-N-[7-(1-吡咯烷基)-2-氧代螺[4.5]癸-8-基]苯乙酰胺，及其酸盐。公开了将这些化合物用作镇痛药的药物组合物和使用方法。还公开了制备这类化合物的过程。
• PYRAZOLE CARBOXAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：Genentech, Inc.

  公开号：US20150158851A1

  公开（公告）日：2015-06-11

  Provided herein are compounds of formula (AA): stereoisomers or a pharmaceutically acceptable salt thereof, wherein A, R a , p, R 5 and R 6 are defined herein, compositions including the compounds and methods of manufacturing and using the compounds for the treatment of diseases.

  本文提供了式（AA）的化合物：其立体异构体或其药学上可接受的盐，其中A、Ra、p、R5和R6在此定义，包括该化合物的组合物以及制造和使用该化合物治疗疾病的方法。
• Carboxamide derivatives
  申请人：Novartis AG

  公开号：US09403810B2

  公开（公告）日：2016-08-02

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof; a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了式(I)的化合物或其药学上可接受的盐；一种制造本发明化合物的方法，以及其治疗用途。本发明还提供了一种药理活性剂的组合和制药组合物。
• US9403810B2
  申请人：——

  公开号：US9403810B2

  公开（公告）日：2016-08-02