1-[4-(1,4-二氧杂-8-氮杂螺[4.5]癸烷-8-基)苯基]乙酮 | 79421-41-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-[4-(1,4-二氧杂-8-氮杂螺[4.5]癸烷-8-基)苯基]乙酮
• 英文名称: 8-(4-acetylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
• 英文别名: 1-[4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)phenyl]ethanone；1-(4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)phenyl)ethanone；1-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
• CAS: 79421-41-3
• 化学式: C₁₅H₁₉NO₃
• 分子量: 261.321
• InChiKey: FYLGZBNNVGZPIW-UHFFFAOYSA-N

物化性质

• 熔点：
  118-119 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• 沸点：
  441.9±45.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1-[4-(1,4-二氧杂-8-氮杂螺[4.5]癸烷-8-基)苯基]乙酮 在 10percent Pd/C 盐酸 、 高氯酸 、 thallium(III) nitrite 、 氢气 、 溶剂黄146 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、137.9 kPa 条件下， 反应 8.0h， 生成 (4-{4-[(2R)-2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-piperidin-1-yl}-phenyl)-acetic acid
  参考文献：
  名称：

  (4-Piperidin-1-yl)phenyl Amides:  Potent and Selective Human β₃ Agonists

  摘要：

  In search of potent and selective human beta (3) agonists as potential drugs for the treatment of human obesity and type II diabetes, a series of (4-piperidin-1-yl)phenyl amides was prepared and evaluated for their biological activity on the human beta (3)-adrenergic receptor. The leucine derivative 26e and the reverse amide 33b were found to be the two most potent and selective compounds in this study. With EC50 values of 0.008 and 0.009 muM, respectively, at the beta (3) receptor, nearly completely abolished intrinsic activity at either the beta (1) or beta (2) receptor, and significant thermogenesis effects on human beta (3)-adrenergic receptor transgenic mice, 26e and 33b are among the most potent and selective human beta (3) agonists known to date.

  DOI：

  10.1021/jm000544b
• 作为产物：
  描述：

  4-氟苯乙酮 、 4-哌啶酮缩乙二醇 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 96.0h， 以87%的产率得到1-[4-(1,4-二氧杂-8-氮杂螺[4.5]癸烷-8-基)苯基]乙酮
  参考文献：
  名称：

  A Convenient Synthesis of 1-Aryl-4-piperidones

  摘要：

  DOI：

  10.1055/s-1981-29539

文献信息

• Ligand- and Base-Free Copper(II)-Catalyzed C−N Bond Formation:  Cross-Coupling Reactions of Organoboron Compounds with Aliphatic Amines and Anilines
  作者：Tan D. Quach、Robert A. Batey

  DOI：10.1021/ol035681s

  日期：2003.11.1

  [reaction: see text] A ligandless and base-free Cu-catalyzed protocol for the cross-coupling of arylboronic acids and potassium aryltrifluoroborate salts with primary and secondary aliphatic amines and anilines is described. The process utilizes catalytic copper(II) acetate monohydrate and 4 A molecular sieves in dichloromethane at slightly elevated temperatures under an atmosphere of oxygen. A broad

  [反应：见正文]描述了无芳基和无碱的Cu催化方案，用于芳基硼酸和芳基三氟硼酸钾盐与伯和仲脂族胺和苯胺的交叉偶联。该方法在氧气气氛下稍微升高的温度下利用催化的一水合乙酸铜（II）乙酸铜和4 A分子筛在二氯甲烷中。两个交叉偶联伙伴都可以耐受各种官能团。
• Indeno [1,2-c]pyrazol-4-ones and their uses
  申请人：——

  公开号：US20010027195A1

  公开（公告）日：2001-10-04

  The present invention relates to the synthesis of a new class of indeno[1,2-c]pyrazol-4-ones of formula (I): 1 that are potent inhibitors of the class of enzymes known as cyclin dependent kinases, which relate to the catalytic subunits cdk1-9 and their regulatory subunits know as cyclins A-H. This invention also provides a novel method of treating cancer or other proliferative diseases by administering a therapeutically effective amount of one of these compounds or a pharmaceutically acceptable salt form thereof. Alternatively, one can treat cancer or other proliferative diseases by administering a therapeutically effective combination of one of the compounds of the present invention and one or more other known anti-cancer or anti-proliferative agents.

  本发明涉及合成一种新类别的indeno[1,2-c]pyrazol-4-ones化合物，其化学式为(I):1，这些化合物是一类名为细胞周期依赖性激酶的酶的强效抑制剂，与催化亚基cdk1-9及其调节亚基cyclins A-H有关。本发明还提供了一种新颖的治疗癌症或其他增生性疾病的方法，即通过给予这些化合物中的一种或其药用可接受的盐形式的治疗有效剂量。另外，可以通过给予本发明化合物之一与一种或多种其他已知的抗癌或抗增生剂的治疗有效组合来治疗癌症或其他增生性疾病。
• 1,3-Dioxolane von N-substituierten 4-Piperidonen als Dehydrierungssubstrat / 1,3-Dioxolanes of N-Substituted 4-Piperidones as Substrates for Dehydrogenations
  作者：H. Möhrle、M. Jeandrée

  DOI：10.1515/znb-1997-0115

  日期：1997.1.1

  The applicability of ketals was examined for masking the carbonyl group in N-tertiary 4-piperidones during the dehydrogenation using mercury-edta. Various 1,3-dioxolanes showed a different behaviour in dependence on the N-substituent. With simple aliphatic moieties mainly dehydrogenated but hydrolyzed products were received. These enaminones were also available from the dehydrogenations of the corresponding 4-piperidones. Similar applied to para-acyl-aromatic substituted derivatives but with less yields. Aromatic substituents bearing a neighbour group on ortho-position with participation gave rise to different oxidation products partially with preservation of the ketal structure

  本文研究了使用缬氨酸汞脱氢反应掩蔽N-三级4-哌啶酮中的羰基的甲缩醛的适用性。不同的1,3-二氧杂环烷根据N-取代基表现出不同的行为。使用简单的脂肪基主要获得脱氢但水解产物。这些烯酮也可以从相应的4-哌啶酮的脱氢反应中得到。对于带有邻位参与的芳基取代基，类似的情况也发生了，但产率较低。带有邻位参与的芳基取代基在一定程度上保留了甲缩醛结构，产生了不同的氧化产物。
• Cyclic amine phenyl beta-3 adrenergic receptor agonists
  申请人：——

  公开号：US20020028835A1

  公开（公告）日：2002-03-07

  This invention provides compounds of Formula I having the structure 1 wherein, R 1 , R 2 , R 3 , R 4 , R 5 , T, T 1 , T 2 , and X are as defined hereinbefore, or a pharmaceutically acceptable salt thereof, which are useful in treating or inhibiting metabolic disorders related to insulin resistance or hyperglycemia (typically associated with obesity or glucose intolerance), atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination; and are particularly useful in the treatment or inhibition of type II diabetes.

  本发明提供了具有结构1的化合物，其中R1、R2、R3、R4、R5、T、T1、T2和X如前所定义，或其药学上可接受的盐，其在治疗或抑制与胰岛素抵抗或高血糖有关的代谢紊乱（通常与肥胖或葡萄糖不耐症有关）、动脉粥样硬化、胃肠道疾病、神经遗传性炎症、青光眼、眼压增高和频繁排尿方面非常有用；尤其适用于治疗或抑制2型糖尿病。
• Semicarbazides and their uses
  申请人：——

  公开号：US20020091127A1

  公开（公告）日：2002-07-11

  The present invention relates to the synthesis of a new class of indeno[1,2-c]pyrazol-4-ones of formula (I): 1 that are potent inhibitors of the class of enzymes known as cyclin dependent kinases, which relate to the catalytic subunits cdk1-7 and their regulatory subunits know as cyclins A-G. This invention also provides a novel method of treating cancer or other proliferative diseases by administering a therapeutically effective amount of one of these compounds or a pharmaceutically acceptable salt form thereof. Alternatively, one can treat cancer or other proliferative diseases by administering a therapeutically effective combination of one of the compounds of the present invention and one or more other known anti-cancer or anti-proliferative agents.

  本发明涉及一类新的式（I）茚并lsqb;1,2-c]吡唑-4-酮的合成： 1 是一类称为细胞周期蛋白依赖性激酶（与催化亚基 cdk1-7 及其调节亚基 cyclins A-G 有关）的强效抑制剂。 本发明还提供了一种治疗癌症或其他增殖性疾病的新方法，即施用治疗有效量的这些化合物之一或其药学上可接受的盐形式。或者，也可以通过施用本发明的一种化合物与一种或多种其它已知的抗癌或抗增生剂的治疗有效组合物来治疗癌症或其它增生性疾病。