1-phenyl-4-(3-pyridyl)butan-1,4-dione | 49835-54-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-phenyl-4-(3-pyridyl)butan-1,4-dione
• 英文别名: 1-phenyl-4-pyridin-3-yl-butane-1,4-dione；1,4-dioxo-1-(pyridyl-3)-4-phenylbutane；1-Phenyl-4-(3-pyridyl)-butan-1,4-dion；1-Phenyl-4-(3-pyridyl)-1,4-butandion；4-Phenyl-1-(3-pyridyl)-1,4-butandion；1-Phenyl-4-pyridin-3-ylbutane-1,4-dione
• CAS: 49835-54-3
• 化学式: C₁₅H₁₃NO₂
• 分子量: 239.274
• InChiKey: IWDMDIIVYXULDW-UHFFFAOYSA-N

物化性质

• 熔点：
  100 °C(Solv: isopropanol (67-63-0))
• 沸点：
  434.0±25.0 °C(Predicted)
• 密度：
  1.158±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  47
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-phenyl-4-(3-pyridyl)butan-1,4-dione 在 ammonium carbonate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以90%的产率得到
  参考文献：
  名称：

  扩展的杂环系统1.吡咯基吡啶，交替的吡咯：吡啶低聚物和聚合物的合成与表征，以及相关系统

  摘要：

  Stetter程序已经过调整，可以生产低聚和聚合的吡咯基吡啶，这些化合物已通过13 C NMR光谱进行了表征。2-（吡咯-2-基）吡啶对季铵化的较低活性允许2-，3-和4-（吡咯-2-基）吡啶的选择性N-烷基化。

  DOI：

  10.1016/0040-4020(96)00448-6
• 作为产物：
  描述：

  3-二甲基氨基-1-苯丙烷-1-酮 在 NaCN 作用下， 以 N-甲基乙酰胺 为溶剂， 以35%的产率得到1-phenyl-4-(3-pyridyl)butan-1,4-dione
  参考文献：
  名称：

  Process for preparing ketones

  摘要：

  酮类化合物是通过在氰离子存在下将芳香族或杂环醛与具有以下式(I)的不饱和化合物反应制备的：##STR1##其中R.sup.1、R.sup.2和R.sup.3相同或不同，选自氢、可选择取代的脂肪族、环脂肪族、芳基脂肪族、芳香族、杂环和羧酸酯，R.sup.4是腈（CN）、--CO--R.sup.5或--CO--OR.sup.5，其中R.sup.5选自可选择取代的脂肪族、环脂肪族、芳基脂肪族、芳香族和杂环，而R.sup.1和R.sup.2和/或R.sup.1和R.sup.3和/或R.sup.2和R.sup.5或R.sup.3和R.sup.5连同它们附着的碳原子也可以形成碳环或杂环。根据本发明的方法制备的酮类化合物具有以下式：##STR2##其中R.sup.1'.和R.sup.3'.相同或不同，选自氢、具有最多3个碳原子的低烷基和可选择取代的苯基；R.sup.6'.是可选择取代的苯基或吡啶基。

  公开号：

  US04014889A1

文献信息

• GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS
  申请人：Samumed, LLC

  公开号：US20140243349A1

  公开（公告）日：2014-08-28

  The present disclosure provides γ-diketones or analogs thereof, that activate Wnt/β-catenin signaling and thus treat or prevent diseases related to signal transduction, such as osteoporosis and osteoarthropathy; osteogenesis imperfecta, bone defects, bone fractures, periodontal disease, otosclerosis, wound healing, craniofacial defects, oncolytic bone disease, traumatic brain injuries or spine injuries, brain atrophy/neurological disorders related to the differentiation and development of the central nervous system, including Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; otic disorders like cochlear hair cell loss; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, such as hair loss, hematopoiesis related diseases and tissue regeneration related diseases.

  本公开提供了激活Wnt/β-连环蛋白信号通路并因此治疗或预防与信号转导相关的疾病的γ-二酮或其类似物；这些疾病包括骨质疏松症和骨关节病；骨发育不全、骨缺陷、骨折、牙周病、耳硬化症、伤口愈合、颅颌面缺陷、溶骨性骨病、创伤性脑损伤或脊柱损伤、与中枢神经系统分化和发育相关的脑萎缩/神经系统疾病，包括帕金森病、中风、缺血性脑疾病、癫痫、阿尔茨海默病、抑郁症、躁郁症、精神分裂症；耳部疾病如耳蜗毛细胞丧失；眼部疾病如老年性黄斑变性、糖尿病性黄斑水肿或视网膜色素变性以及与干细胞分化和生长相关的疾病，如脱发、造血相关疾病和组织再生相关疾病。
• Gamma-diketones for treatment and prevention of aging skin and wrinkles
  申请人：Samumed, LLC

  公开号：US10434052B2

  公开（公告）日：2019-10-08

  The present disclosure relates to compounds having the following structure: or a dermatologically acceptable salt thereof, and cosmetic or dermopharmaceutical compositions comprising the same, and methods for using the compounds or compositions for treating, protecting, and/or improving the condition and/or aesthetic appearance of skin, for example, treating, preventing, ameliorating, reducing and/or eliminating fine lines and/or wrinkles of skin, or improving the appearance of fine lines and/or or wrinkles of skin comprising application of the compounds or compositions disclosed.

  本公开涉及具有以下结构的化合物： 或其皮肤学上可接受的盐，以及包含这些化合物的化妆品或皮肤药物组合物，以及使用这些化合物或组合物治疗、保护和/或改善皮肤状况和/或美学外观的方法，例如，治疗、预防、改善、减少和/或消除皮肤细纹和/或皱纹，或改善皮肤细纹和/或或皱纹的外观，包括应用所公开的化合物或组合物。
• γ-diketones as Wnt/β-catenin signaling pathway activators
  申请人：Samumed, LLC

  公开号：US10457672B2

  公开（公告）日：2019-10-29

  The present disclosure provides γ-diketones or analogs thereof, that activate Wnt/β-catenin signaling and thus treat or prevent diseases related to signal transduction, such as osteoporosis and osteoarthropathy; osteogenesis imperfecta, bone defects, bone fractures, periodontal disease, otosclerosis, wound healing, craniofacial defects, oncolytic bone disease, traumatic brain injuries or spine injuries, brain atrophy/neurological disorders related to the differentiation and development of the central nervous system, including Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; otic disorders like cochlear hair cell loss; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, such as hair loss, hematopoiesis related diseases and tissue regeneration related diseases.

  本公开提供了γ-二酮或其类似物，它们能激活Wnt/β-catenin信号转导，从而治疗或预防与信号转导有关的疾病，如骨质疏松症和骨关节病；成骨不全症、骨缺损、骨折、牙周病、耳硬化症、伤口愈合、颅面缺损、溶瘤性骨病、脑外伤或脊柱损伤、脑萎缩/与中枢神经系统分化和发育有关的神经系统疾病，包括帕金森病、中风、缺血性脑病、癫痫、阿尔茨海默病、抑郁症、躁狂症、精神分裂症；耳部疾病，如耳蜗毛细胞缺失；眼部疾病，如老年性黄斑变性、糖尿病性黄斑水肿或视网膜色素变性；以及与干细胞分化和生长有关的疾病，如脱发、造血相关疾病和组织再生相关疾病。
• Gamma-diketones as wnt/β-catenin signaling pathway activators
  申请人：Samumed, LLC

  公开号：US11034682B2

  公开（公告）日：2021-06-15

  The present disclosure provides γ-diketones or analogs thereof, that activate Wnt/β-catenin signaling and thus treat or prevent diseases related to signal transduction, such as osteoporosis and osteoarthropathy; osteogenesis imperfecta, bone defects, bone fractures, periodontal disease, otosclerosis, wound healing, craniofacial defects, oncolytic bone disease, traumatic brain injuries or spine injuries, brain atrophy/neurological disorders related to the differentiation and development of the central nervous system, including Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; otic disorders like cochlear hair cell loss; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, such as hair loss, hematopoiesis related diseases and tissue regeneration related diseases.

  本公开提供了γ-二酮或其类似物，它们能激活Wnt/β-catenin信号转导，从而治疗或预防与信号转导有关的疾病，如骨质疏松症和骨关节病；成骨不全症、骨缺损、骨折、牙周病、耳硬化症、伤口愈合、颅面缺损、溶瘤性骨病、脑外伤或脊柱损伤、脑萎缩/与中枢神经系统分化和发育有关的神经系统疾病，包括帕金森病、中风、缺血性脑病、癫痫、阿尔茨海默病、抑郁症、躁狂症、精神分裂症；耳部疾病，如耳蜗毛细胞缺失；眼部疾病，如老年性黄斑变性、糖尿病性黄斑水肿或视网膜色素变性；以及与干细胞分化和生长有关的疾病，如脱发、造血相关疾病和组织再生相关疾病。
• Method for the photochemical isomeration of organic compounds under the influence of a photosensitizer
  申请人：DUPHAR INTERNATIONAL RESEARCH B.V

  公开号：EP0454204B1

  公开（公告）日：1995-06-28