1-(4'-heptyloxy-biphenyl-4-yl)-ethanone | 56117-26-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4'-heptyloxy-biphenyl-4-yl)-ethanone
• 英文别名: 1-(4'-heptoxy-[1,1'-biphenyl]-4-yl)ethan-1-one；1-[4'-(Heptyloxy)[1,1'-biphenyl]-4-yl]ethan-1-one；1-[4-(4-heptoxyphenyl)phenyl]ethanone
• CAS: 56117-26-1
• 化学式: C₂₁H₂₆O₂
• 分子量: 310.436
• InChiKey: UDYYIRJQSOSZAA-UHFFFAOYSA-N

物化性质

• 熔点：
  136.8-138.0 °C(Solv: ethanol (64-17-5))
• 沸点：
  441.8±28.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4'-heptyloxy-biphenyl-4-yl)-ethanone 在 sodium hydroxide 、 chiral BINOL-based ligand 、 copper(II) bis(trifluoromethanesulfonate) 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 96.25h， 生成 1-(4'-heptyloxy-biphenyl-4-yl)-3-phenyl-pentan-1-one
  参考文献：
  名称：

  直接视觉检测催化反应的立体选择性。

  摘要：

  DOI：

  10.1002/anie.200460822
• 作为产物：
  描述：

  4-溴苯乙酮 、 4-庚氧基苯硼酸 在 palladium diacetate 、 三苯基膦 作用下， 以 丙醇 、 水 为溶剂， 反应 5.0h， 以88%的产率得到1-(4'-heptyloxy-biphenyl-4-yl)-ethanone
  参考文献：
  名称：

  WO2019246603A5

  摘要：

  公开号：

  WO2019246603A5

文献信息

• [EN] CYCLIC PEPTIDE COMPOUNDS AND RELATED METHODS, SALTS AND COMPOSITIONS<br/>[FR] COMPOSÉS DE PEPTIDES CYCLIQUES ET PROCÉDÉS, SELS ET COMPOSITIONS ASSOCIÉS
  申请人：MERCK SHARP & DOHME

  公开号：WO2015172047A1

  公开（公告）日：2015-11-12

  This invention relates to compounds useful in the preparation of lipopeptides and related methods of preparing and using these compounds.

  本发明涉及在制备脂肽和相关方法中有用的化合物，以及制备和使用这些化合物的相关方法。
• NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS
  申请人：Metcalf, III Chester A.

  公开号：US20140073558A1

  公开（公告）日：2014-03-13

  The present invention relates to novel lipopeptide compounds, pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The compounds of the invention are particularly useful against a variety of bacteria, including resistant strains. The compounds are useful as antibacterial agents against Clostridium difficile.

  本发明涉及一种新型的脂肽化合物，以及这些化合物的药物组合物和将这些化合物用作抗菌化合物的方法。本发明中的化合物特别适用于对抗各种细菌，包括抗药性菌株。这些化合物可用作抗Clostridium difficile的抗菌剂。
• Methods and compositions for inhibition of dihydroorotate dehydrogenase
  申请人：OHIO STATE INNOVATION FOUNDATION

  公开号：US11312686B2

  公开（公告）日：2022-04-26

  Disclosed herein are compounds, 3,4,6,8-substituted-2-([1′-biphenyl]-4-yl)quinoline analogs, that are inhibitors of dihydroorotate dehydrogenase (DHODH) with improved pharmacokinetic properties. The disclosed compounds can be used in the treatment of a variety of disorders and diseases in which inhibition of DHODH can be clinically useful, including cancer, such as a hematological cancer, including acute myeloid leukemia (AML); graft-versus-host-diseases; autoimmune disorders; and disorders associated with T-cell proliferation. The disclosed compounds can demonstrate flip-flop kinetics when administered orally, i.e., pharmacokinetics in which the rate of absorption, rather than the rate of elimination, dominates the pharmacokinetics. The disclosed compounds can demonstrate a sustained pharmacokinetic profile instead of an immediate release profile. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present disclosure.

  本文公开的化合物是3、4、6、8-取代的-2-([1′-联苯]-4-基)喹啉类似物，它们是具有改进的药代动力学特性的二氢烟酸脱氢酶(DHODH)抑制剂。所公开的化合物可用于治疗各种疾病，其中抑制 DHODH 在临床上是有用的，这些疾病包括癌症，如血液肿瘤，包括急性髓性白血病（AML）；移植物抗宿主疾病；自身免疫性疾病；以及与 T 细胞增殖相关的疾病。所公开的化合物在口服给药时可表现出翻转动力学，即吸收率而非消除率主导药代动力学的药代动力学。所公开的化合物可以表现出持续的药代动力学特征，而不是立即释放的特征。本摘要旨在作为在特定技术领域进行搜索的扫描工具，并非对本公开内容的限制。
• METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE
  申请人：OHIO STATE INNOVATION FOUNDATION

  公开号：US20210253531A1

  公开（公告）日：2021-08-19

  Disclosed herein are compounds, 3,4,6,8-substituted-2-([1′-biphenyl]-4-yl)quinoline analogs, that are inhibitors of dihydroorotate dehydrogenase (DHODH) with improved pharmacokinetic properties. The disclosed compounds can be used in the treatment of a variety of disorders and diseases in which inhibition of DHODH can be clinically useful, including cancer, such as a hematological cancer, including acute myeloid leukemia (AML); graft-versus-host-diseases; autoimmune disorders; and disorders associated with T-cell proliferation. The disclosed compounds can demonstrate flip-flop kinetics when administered orally, i.e., pharmacokinetics in which the rate of absorption, rather than the rate of elimination, dominates the pharmacokinetics. The disclosed compounds can demonstrate a sustained pharmacokinetic profile instead of an immediate release profile. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present disclosure.
• US8507647B2
  申请人：——

  公开号：US8507647B2

  公开（公告）日：2013-08-13