1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2,2-diethyl-3-phenylpropane-1,3-dione | 1360541-02-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2,2-diethyl-3-phenylpropane-1,3-dione
• 英文别名: 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,2-diethyl-3-phenylpropane-1,3-dione
• CAS: 1360541-02-1
• 化学式: C₂₁H₂₂O₄
• 分子量: 338.403
• InChiKey: PPIOYCHXNYDOAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  溴乙烷 、 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-phenylpropane-1,3-dione 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 以35%的产率得到1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-3-phenylpropane-1,3-dione
  参考文献：
  名称：

  BETA- AND GAMMA-DIKETONES AND GAMMA-HYDROXYKETONES AS WNT/BETA-CATENIN SIGNALING PATHWAY ACTIVATORS

  摘要：

  本发明公开了激活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β-二酮、γ-二酮或γ-羟基酮或其类似物，例如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、与中枢神经系统的分化和发育相关的创伤性脑损伤，包括帕金森病、中风、缺血性脑血管疾病、癫痫、阿尔茨海默病、抑郁症、躁郁症、精神分裂症；眼部疾病，如年龄相关性黄斑变性、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，包括脱发、造血相关疾病和组织再生相关疾病。

  公开号：

  US20120046320A1

文献信息

• B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS
  申请人：Samumed, LLC

  公开号：US20140080902A1

  公开（公告）日：2014-03-20

  The present invention discloses β-diketones, γ-diketones or γ-hydroxyketones 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 related to the differentiation and development of the central nervous system, comprising Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, comprising hair loss, hematopoiesis related diseases and tissue regeneration related diseases.

  本发明揭示了β-二酮、γ-二酮或γ-羟基酮或其类似物，其激活Wnt/β-连环蛋白信号传导，从而治疗或预防与信号传导相关的疾病，如骨质疏松症和骨关节病；成骨不全症、骨缺陷、骨折、牙周病、耳硬化症、伤口愈合、颅颜部缺陷、肿瘤溶解性骨病、与中枢神经系统分化和发育相关的创伤性脑损伤，包括帕金森病、中风、缺血性脑病、癫痫、阿尔茨海默病、抑郁症、躁郁症、精神分裂症；眼部疾病，如年龄相关性黄斑变性、糖尿病性黄斑水肿或色素性视网膜炎以及与干细胞分化和生长相关的疾病，包括脱发、造血相关疾病和组织再生相关疾病。
• B- AND Y -DIKETONES AND Y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS
  申请人：Samumed, LLC

  公开号：US20140005228A1

  公开（公告）日：2014-01-02

  The present invention discloses β-diketones, γ-diketones or γ-hydroxyketones 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 related to the differentiation and development of the central nervous system, comprising Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, comprising hair loss, hematopoiesis related diseases and tissue regeneration related diseases.

  本发明揭示了激活Wnt / β-catenin信号通路的β-二酮，γ-二酮或γ-羟基酮或其类似物，从而治疗或预防与信号转导相关的疾病，如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，创伤愈合，颅面缺陷，骨溶解性肿瘤性疾病，与中枢神经系统的分化和发育相关的创伤性脑损伤，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; 与分化和干细胞生长相关的疾病，包括脱发，造血相关疾病和组织再生相关疾病。
• β- and γ-diketones and γ-hydroxyketones as Wnt/β-catenin signaling pathway activators
  申请人：Samumed, LLC

  公开号：US10314832B2

  公开（公告）日：2019-06-11

  The present application discloses a compound which is which activates Wnt/β-catenin signaling and thus treats or prevents 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 related to the differentiation and development of the central nervous system, comprising Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, comprising hair loss, hematopoiesis related diseases and tissue regeneration related diseases.

  本申请公开了一种化合物，它 它能激活 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、与中枢神经系统分化和发育有关的脑外伤，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；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，包括脱发、造血相关疾病和组织再生相关疾病。
• DIKETONES AND HYDROXYKETONES AS CATENIN SIGNALING PATHWAY ACTIVATORS
  申请人：Samumed, LLC

  公开号：EP2605652A1

  公开（公告）日：2013-06-26
• ß- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ ß -CATENIN SIGNALING PATHWAY ACTIVATORS
  申请人：BioSplice Therapeutics, Inc.

  公开号：US20210353604A1

  公开（公告）日：2021-11-18

  The present application discloses a compound which is which activates Wnt/β-catenin signaling and thus treats or prevents 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 related to the differentiation and development of the central nervous system, comprising Parkinson's disease, strokes, ischemic cerebral disease, epilepsy, Alzheimer's disease, depression, bipolar disorder, schizophrenia; eye diseases such as age related macular degeneration, diabetic macular edema or retinitis pigmentosa and diseases related to differentiation and growth of stem cell, comprising hair loss, hematopoiesis related diseases and tissue regeneration related diseases.