1-叔丁基-羰基-4-哌啶酮 | 71072-37-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-叔丁基-羰基-4-哌啶酮
• 英文名称: 1-pivaloylpiperidin-4-one
• 英文别名: 1-tert-butyl-carbonyl-4-piperidone；1-(2,2-Dimethylpropanoyl)piperidin-4-one
• CAS: 71072-37-2
• 化学式: C₁₀H₁₇NO₂
• mdl: MFCD08694959
• 分子量: 183.25
• InChiKey: GAKRFXBXTBSAOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  258.2±15.0 °C(Predicted)
• 密度：
  1.048±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-叔丁基-羰基-4-哌啶酮 在 四(三苯基膦)钯 、 palladium 10% on activated carbon 、 氢气 、 sodium hydride 、 sodium carbonate 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 水 、 mineral oil 为溶剂， 反应 1.5h， 生成 N-(3'-cyano-4'-((1-pivaloylpiperidin-4-yl)methyl)-2-(trifluoromethyl)biphenyl-4-yl)-2-(4-(ethylsulfonyl)phenyl)acetamide
  参考文献：
  名称：

  From RORγt Agonist to Two Types of RORγt Inverse Agonists

  摘要：

  Biaryl amides as new ROR gamma t modulators were discovered. The crystal structure of biaryl amide agonist 6 in complex with ROR gamma t ligand binding domain (LBD) was resolved, and both "short" and "long" inverse agonists were obtained by removing from 6 or adding to 6 a proper structural moiety. While "short" inverse agonist (8) recruits a corepressor peptide and dispels a coactivator peptide, "long" inverse agonist (9) dispels both. The two types of inverse agonists can be utilized as potential tools to study mechanisms of Th17 transcriptional network inhibition and related disease biology.

  DOI：

  10.1021/acsmedchemlett.7b00476
• 作为产物：
  描述：

  三甲基乙酰氯 、 4,4-哌啶二醇盐酸盐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以60%的产率得到1-叔丁基-羰基-4-哌啶酮
  参考文献：
  名称：

  Synthesis of N -substituted piperidine-4-(benzylidene-4-carboxylic acids) and evaluation as inhibitors of steroid-5α-reductase type 1 and 2

  摘要：

  The synthesis of N-substituted piperidine-4-(benzylidene-4-carboxylic acids) is described [benzoyl (1), benzyl (2), adamantanoyl (3), cyclohexanoyl (4), cyclohexylacetyl (5), diphenylacetyl (6), dicyclohexylacetyl (7), 2-propylpentanoyl (8), diphenylcarbamoyl (9). trimethylacetyl (10), 3,3-dimethylacryloyl (11), dicyclohexylacetyl derivative of the benzyl compound (12)]. Compounds were tested for inhibitory activity toward Scc-reductase isozymes 1 and 2 in human and rat. The test compounds inhibited 5 alpha-reductase, showing a broad range of inhibitory potencies. In rat, compounds 6 (IC50 = 3.44 and 0.37 mu M for type 1 and 2, respectively) and 9 (IC50 = 0.54 and 0.69 mu M for type 1 and 2, respectively) displayed the best inhibition toward both Isozymes. Compound 7 showed a strong inhibition toward type 2 human and rat enzyme (IC50 = 60 and 80 nM) but only a moderate activity versus type 1 enzyme (IC50 approximately 10 mu M for rat and human enzyme). In vivo, selected compounds reduced prostate weights in castrated testosterone treated rats. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00070-5

文献信息

• Heteroaryl compounds as P2Y1 receptor inhibitors
  申请人：Sutton C. James

  公开号：US20060173002A1

  公开（公告）日：2006-08-03

  The present invention provides novel heteroaryl compounds and analogues thereof, which are selective inhibitors of the human P2Y 1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y 1 receptor activity.

  本发明提供了新颖的杂环芳基化合物及其类似物，这些化合物是人类P2Y1受体的选择性抑制剂。该发明还提供了相应的各种药物组合物以及调节P2Y1受体活性治疗对其敏感的疾病的方法。
• Heterocyclic substituted aniline calcium channel blockers
  申请人：Warner-Lambert

  公开号：US06251919B1

  公开（公告）日：2001-06-26

  The present invention provides compounds that block calcium channels having the Formula I shown below. The present invention also provides methods of using the compounds of Formula I to treat stroke, cerebral ischemia, head trauma, epilepsy, asthma, amyotrophic lateral sclerosis, or pain and to pharmaceutical compositions that contain the compounds of Formula I.

  本发明提供了阻断钙通道的化合物，其具有下面所示的I式。本发明还提供了利用I式化合物治疗中风、脑缺血、头部创伤、癫痫、哮喘、肌萎缩侧索硬化或疼痛的方法，以及含有I式化合物的药物组合物。
• Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans
  申请人：Commissariat à l'Energie Atomique

  公开号：EP1997805A1

  公开（公告）日：2008-12-03

  The Invention relates to compounds having an antiparasitic activity, and to their use as a drug, in particular as a drug for the prevention and/or treatment of parasitic diseases caused by apicomplexans. The invention also relates to pharmaceutical compositions containing those compounds.

  这项发明涉及具有抗寄生虫活性的化合物，以及它们作为药物的用途，特别是作为预防和/或治疗由顶复合体寄生虫引起的寄生虫病的药物。该发明还涉及含有这些化合物的药物组合物。
• Aniline derivatives as calcium channel blockers
  申请人：Warner-Lambert Company

  公开号：US06251918B1

  公开（公告）日：2001-06-26

  The present invention provides compounds that block calcium channels having formula (I). The present invention also provides methods of using the compounds of formula (I) to treat stroke, cerebral ischemia, head trauma, or epilepsy and to pharmaceutical compositions that contain the compounds of formula (I).

  本发明提供了一种阻断钙通道的化合物，其化学式为(I)。本发明还提供了使用化合物(I)治疗中风、脑缺血、头部创伤或癫痫的方法，以及含有化合物(I)的药物组合物。
• [EN] HISTONE DEACETYLASE INHIBTORS<br/>[FR] INHIBTEURS DE L'HISTONE DÉSACÉTYLASE
  申请人：BIOMARIN PHARM INC

  公开号：WO2017004522A1

  公开（公告）日：2017-01-05

  Provided herein are compounds and methods for inhibiting histone deacetylase ("HDAC") enzymes (e.g., HDAC1, HDAC2, and HDAC3).

  本文提供了抑制组蛋白去乙酰化酶（"HDAC"）酶（例如HDAC1、HDAC2和HDAC3）的化合物和方法。