(piperidin-4-yl)(p-tolyl)methanone hydrochloride | 42060-84-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (piperidin-4-yl)(p-tolyl)methanone hydrochloride
• 英文别名: (4-methylphenyl)piperidin-4-ylmethanone hydrochloride；4-[(4-Methylphenyl)carbonyl]piperidine hydrochloride；(4-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
• CAS: 42060-84-4
• 化学式: C₁₃H₁₇NO*ClH
• mdl: MFCD00205814
• 分子量: 239.745
• InChiKey: IQGHJDJWYVPSGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.15
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  29.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (piperidin-4-yl)(p-tolyl)methanone hydrochloride 、 4-(氯甲基)-2-(4-氟苯基)-1,3-唑 在 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 反应 4.0h， 生成 (1-((2-(4-fluorophenyl)oxazol-4-yl)methyl)piperidin-4-yl)(p-tolyl)methanone
  参考文献：
  名称：

  Discovery of the disubstituted oxazole analogues as a novel class anti-tuberculotic agents against MDR- and XDR-MTB

  摘要：

  A high-throughput screening effort on 45,000 compounds resulted in the discovery of a disubstituted oxazole as a new structural class inhibitor of Mycobacterium tuberculosis (Mtb). In order to improve the activity and investigate the SAR of this scaffold, a series of disubstituted azole analogues have been designed and synthesized. The newly synthesized compounds 1a-y were evaluated for their in vitro anti-TB activity versus replicating, multi-and extensive drug resistant Mtb strains. All the compounds, except 1o, 1p and 1q, showed potent anti-TB activity with MIC of 1-64 mg/L. The test of broad spectrum panel revealed that this series are specific to Mtb. The cytotoxicity assessment indicated that the compounds were not cytotoxic against HEK 293 cells. The compounds could have a novel mechanism to anti-Mtb as they can inhibit drug sensitive and drug resistant Mtb. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.09.072
• 作为产物：
  描述：

  1-乙酰基哌啶-4-酰基氯 在 盐酸 、 aluminum (III) chloride 、 水 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 反应 26.0h， 生成 (piperidin-4-yl)(p-tolyl)methanone hydrochloride
  参考文献：
  名称：

  Discovery of the disubstituted oxazole analogues as a novel class anti-tuberculotic agents against MDR- and XDR-MTB

  摘要：

  A high-throughput screening effort on 45,000 compounds resulted in the discovery of a disubstituted oxazole as a new structural class inhibitor of Mycobacterium tuberculosis (Mtb). In order to improve the activity and investigate the SAR of this scaffold, a series of disubstituted azole analogues have been designed and synthesized. The newly synthesized compounds 1a-y were evaluated for their in vitro anti-TB activity versus replicating, multi-and extensive drug resistant Mtb strains. All the compounds, except 1o, 1p and 1q, showed potent anti-TB activity with MIC of 1-64 mg/L. The test of broad spectrum panel revealed that this series are specific to Mtb. The cytotoxicity assessment indicated that the compounds were not cytotoxic against HEK 293 cells. The compounds could have a novel mechanism to anti-Mtb as they can inhibit drug sensitive and drug resistant Mtb. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.09.072

文献信息

• Growth Hormone secretagogues
  申请人：——

  公开号：US20040122234A1

  公开（公告）日：2004-06-24

  This invention relates to novel compounds which are useful in the modulation of endogenous growth hormone levels in a mammal. The invention further relates to novel intermediates for use in the synthesis of said compounds, as well as novel processes employed in these syntheses. Also included are methods of treating a mammal which include the administration of said compounds.

  本发明涉及一种新型化合物，该化合物在哺乳动物内调节内源性生长激素水平方面具有用途。本发明还涉及用于合成所述化合物的新型中间体，以及用于这些合成的新型过程。还包括包括给予所述化合物的治疗哺乳动物的方法。
• Oxazolidinone amide aromatic compounds for supressing MMP-9 production
  申请人：Ishibuchi Seigo

  公开号：US08354401B2

  公开（公告）日：2013-01-15

  Provided are a novel low-molecular-weight compound that suppresses production of induction type MMPs, particularly MMP-9, rather than production of hemostatic type MMP-2, as well as a prophylactic/therapeutic drug for autoimmune diseases or osteoarthritis. An amide derivative represented by the following formula (I) wherein each symbol is as defined in the specification, a pharmacologically acceptable salt thereof, or a hydrate or solvate thereof.

  提供了一种新型低分子量化合物，可以抑制诱导型MMPs（尤其是MMP-9）的产生，而不是止血型MMP-2的产生，以及一种自身免疫疾病或骨关节炎的预防/治疗药物。该化合物是下式（I）所表示的酰胺衍生物，其中每个符号如规范所定义，其药理学上可接受的盐，或其水合物或溶剂化物。
• Amide derivative and use thereof as medicine
  申请人：Maeda Kazuhiro

  公开号：US08816079B2

  公开（公告）日：2014-08-26

  Provided are a novel low-molecular-weight compound that suppresses production of induction type MMPs, particularly MMP-9, rather than production of hemostatic type MMP-2, as well as a prophylactic/therapeutic drug for autoimmune diseases or osteoarthritis. An amide derivative represented by the following formula (I) wherein each symbol is as defined in the specification, or a pharmacologically acceptable salt thereof.

  提供了一种新颖的低分子量化合物，可以抑制诱导型MMPs（特别是MMP-9）的产生，而不是止血型MMP-2的产生，以及用于自身免疫疾病或骨关节炎的预防/治疗药物。该化合物是以下式子（I）所表示的酰胺衍生物，其中每个符号如规范所定义，或其药理学上可接受的盐。
• Congestive heart failure treatment
  申请人：ELI LILLY AND COMPANY

  公开号：EP0898963A2

  公开（公告）日：1999-03-03

  The invention provides methods for the modulation of cardiac function by the administration of a growth hormone secretagogue, which results in an increase in the levels of endogenous growth hormone. Also provided are methods for the treatment of congestive heart failure by the administration of a growth hormone secretagogue. Further provided are methods for the treatment of congestive heart failure by the administration of a growth hormone secretagogue in combination with a growth hormone releasing hormone, or in combination with an antihypertensive agent, diuretic, or other suitable agents.

  本发明提供了通过服用生长激素促泌剂来调节心脏功能的方法，这种促泌剂可提高内源性生长激素的水平。本发明还提供了通过服用生长激素分泌物治疗充血性心力衰竭的方法。此外，还提供了通过服用生长激素促泌剂与生长激素释放激素联合，或与降压药、利尿剂或其他合适的药物联合，治疗充血性心力衰竭的方法。
• Growth hormone secretagogues
  申请人：ELI LILLY AND COMPANY

  公开号：EP0933365A2

  公开（公告）日：1999-08-04

  This invention relates to novel compounds which are useful in the modulation of endogenous growth hormone levels in a mammal. The invention further relates to novel intermediates for use in the synthesis of said compounds, as well as novel processes employed in these syntheses. Also included are methods of treating a mammal which include the administration of said compounds.

  本发明涉及可用于调节哺乳动物体内内源性生长激素水平的新型化合物。本发明还涉及用于合成上述化合物的新型中间体，以及用于这些合成的新型工艺。本发明还包括治疗哺乳动物的方法，其中包括施用上述化合物。