1-(1,3-苯并二氧戊环-5-基)-3-二甲基氨基丙烷-1-酮 | 30418-50-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: 1-(1,3-苯并二氧戊环-5-基)-3-二甲基氨基丙烷-1-酮
• 英文名称: 1-(benzo[d][1,3]dioxol-5-yl)-3-(dimethylamino)propan-1-one
• 英文别名: 5-<3-Dimethylamino-propionyl>-benzo<1,3>dioxol；1-benzo[1,3]dioxol-5-yl-3-dimethylamino-propan-1-one；Safrole I；1-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propan-1-one
• CAS: 30418-50-9
• 化学式: C₁₂H₁₅NO₃
• mdl: MFCD01696677
• 分子量: 221.256
• InChiKey: PWBLOELLKGNDKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  1-(1,3-苯并二氧戊环-5-基)-3-二甲基氨基丙烷-1-酮 、 硼氢化钠 以78%的产率得到
  参考文献：
  名称：

  DAUKSHKAS, V. K.;GAJDYALIS, P. G.;KULESHYUS, V. A., NAUCH. TR. VUZOV LITSSR. XIMIYA I XIM. TEXNOL., 1984, N 25, 47-51

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-亚甲二氧苯乙酮 、 盐酸二甲胺 、 三聚甲醛 生成 1-(1,3-苯并二氧戊环-5-基)-3-二甲基氨基丙烷-1-酮
  参考文献：
  名称：

  DAUKSHAS V. K.; GAJDYALIS P. G.; PYATRAUSKAS O. YU.; UDRENAJTE EH. B.; GA+, XIM.-FARMATS. ZH., 21,(1987) N 5, 569-573

  摘要：

  DOI：

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 AS WNT/BETA-CATENIN SIGNALLING PATHWAY ACTIVATORS
  申请人：Samumed, LLC

  公开号：EP3456325A2

  公开（公告）日：2019-03-20

  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。
• 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。
• DAUKSHAS V. K.; GAJDYALIS P. G.; PYATRAUSKAS O. YU.; UDRENAJTE EH. B.; GA+, XIM.-FARMATS. ZH., 21,(1987) N 5, 569-573
  作者：DAUKSHAS V. K.、 GAJDYALIS P. G.、 PYATRAUSKAS O. YU.、 UDRENAJTE EH. B.、 GA+

  DOI：——

  日期：——