2',3,4',4-tetramethoxydeoxybenzoin | 109250-67-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2',3,4',4-tetramethoxydeoxybenzoin
• 英文别名: 2,4,3',4'-tetramethoxy-deoxybenzoin；2,4,3',4'-Tetramethoxy-desoxybenzoin；1-(2,4-dimethoxyphenyl)-2-(3',4'-dimethoxyphenyl)-1-oxo-ethane；1-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl) ethanone；1-(2,4-Dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanone
• CAS: 109250-67-1
• 化学式: C₁₈H₂₀O₅
• 分子量: 316.354
• InChiKey: SPQXXKXXNFEOAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2',3,4',4-tetramethoxydeoxybenzoin 在 lead(IV) acetate 、 溶剂黄146 作用下， 生成 2,4,3',4'-Tetramethoxy-benzil
  参考文献：
  名称：

  Mee et al., Journal of the Chemical Society, 1957, p. 3093,3097

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(3,4-二甲氧基苯基)-1-(2-羟基-4-甲氧基苯基)-乙酮 在 potassium carbonate 、 丙酮 、 碘甲烷 作用下， 生成 2',3,4',4-tetramethoxydeoxybenzoin
  参考文献：
  名称：

  Badcock et al., Journal of the Chemical Society, 1950, p. 2961,2963

  摘要：

  DOI：

文献信息

• [EN] ARYL DI-SUBSTITUTED PROPENONE COMPOUNDS<br/>[FR] COMPOSÉS DE PROPÉNONE À DISUBSTITUTION ARYLE
  申请人：HEARTLINK LTD

  公开号：WO2010054438A1

  公开（公告）日：2010-05-20

  Compounds of formula (I): wherein R1 and R4 are OR7, R2 and R3 are H or OR7, with the proviso that when R2 is OR7 then R3 is H, and when R3 is OR7 then R2 is H; R5 and R6 are independently H, OH, or OR7 with the proviso that when R5 is OH, R6 is not OH; R7 is alkyl, aryl or arylalkyl; the drawing "(a)" represents either a single or a double bond; or pharmaceutically acceptable salt(s) or prodrug (s) thereof are disclosed. These novel compounds are useful of treatment, prophylaxis, amelioration, or defence against and / or prevention of hormonal dependent conditions, cancer, and diseases and conditions associated with oxidant stress.

  公式（I）的化合物：其中R1和R4为OR7，R2和R3为H或OR7，但条件是当R2为OR7时，R3为H，当R3为OR7时，R2为H；R5和R6独立地为H、OH或OR7，但条件是当R5为OH时，R6不是OH；R7为烷基、芳基或芳基烷基；图中的“(a)”代表单键或双键；或其药学上可接受的盐或前药。这些新型化合物可用于治疗、预防、缓解或抵御激素依赖性疾病、癌症以及与氧化应激相关的疾病和症状。
• Isoflavone metabolites
  申请人：Joannou Eustace George

  公开号：US20050222248A1

  公开（公告）日：2005-10-06

  There are disclosed compounds of formulae (I) or (II) in which A is selected from the group consisting of (1), (2), (3) and (4);OH, and one of R 1 and R 2 is selected from H, OH and OCH 3 , and the other of R 1 and R 2 is selected from OH and OCH 3 ; one of R3 and R4 is selected from H, OH and OCH3, and the other of R3 and R4 is selected from OH and OCH3; provided that at least one of the pairs R 1 , R 2 and R 3 , R 4 are both OH; R 5 is selected from OH and OCH 3 ; and ------ denotes a single or double bond; and pharmaceutically acceptable salts and prodrugs thereof. The compounds of the invention are useful for the treatment of hormone-dependent conditions and cancers.

  在公式（I）或（II）中披露了化合物，其中A选自以下组合：（1）、（2）、（3）和（4）；OH，R1和R2中的一个选自H、OH和OCH3，另一个选自OH和OCH3；R3和R4中的一个选自H、OH和OCH3，另一个选自OH和OCH3；前提是R1、R2和R3、R4中至少有一对是OH；R5选自OH和OCH3；以及------表示单键或双键；以及其药学上可接受的盐和前药。该发明的化合物对于治疗激素依赖性疾病和癌症是有用的。
• ARYL DI-SUBSTITUTED PROPENONE COMPOUNDS
  申请人：Ruane Michael

  公开号：US20110263721A1

  公开（公告）日：2011-10-27

  Compounds of formula (I): wherein R 1 and R 4 are OR 7 , R 2 and R 3 are H or OR 7 , with the proviso that when R 2 is OR 7 then R 3 is H, and when R 3 is OR 7 then R 2 is H; R 5 and R 6 are independently H, OH, or OR 7 with the proviso that when R 5 is OH, R 6 is not OH; R 7 is alkyl, aryl or arylalkyl; the drawing “ ” represents either a single or a double bond; or pharmaceutically acceptable salt(s) or prodrug(s) thereof. These compounds are useful of treatment, prophylaxis, amelioration, or defense against and/or prevention of hormonal dependent conditions, cancer, and diseases and conditions associated with oxidant stress.

  式(I)的化合物：其中R1和R4为OR7，R2和R3为H或OR7，但当R2为OR7时，R3为H，当R3为OR7时，R2为H；R5和R6独立地为H、OH或OR7，但当R5为OH时，R6不为OH；R7为烷基、芳基或芳基烷基；符号“”表示单键或双键；或其药学上可接受的盐或前药。这些化合物可用于治疗、预防、改善或防御激素依赖性疾病、癌症和与氧化应激有关的疾病和病症。
• Aryl di-substituted propenone compounds
  申请人：Ruane Michael

  公开号：US08729134B2

  公开（公告）日：2014-05-20

  Compounds of formula (I): wherein R1 and R4 are OR7, R2 and R3 are H or OR7, with the proviso that when R2 is OR7 then R3 is H, and when R3 is OR7 then R2 is H; R5 and R6 are independently H, OH, or OR7 with the proviso that when R5 is OH, R6 is not OH; R7 is alkyl, aryl or arylalkyl; the drawing “” represents either a single or a double bond; or pharmaceutically acceptable salt(s) or prodrug(s) thereof. These compounds are useful of treatment, prophylaxis, amelioration, or defense against and/or prevention of hormonal dependent conditions, cancer, and diseases and conditions associated with oxidant stress.

  式(I)的化合物：其中R1和R4为OR7，R2和R3为H或OR7，但当R2为OR7时，R3为H；当R3为OR7时，R2为H；R5和R6独立地为H、OH或OR7，但当R5为OH时，R6不为OH；R7为烷基、芳基或芳基烷基；图示“”代表单键或双键；或其药学上可接受的盐或前药。这些化合物对于治疗、预防、缓解或防御激素依赖性疾病、癌症以及与氧化应激相关的疾病和病况非常有用。
• Komissarov, V. N.; Ukhin, L. Yu.; Vetoshkina, L. V., Russian Journal of Organic Chemistry, 1995, vol. 31, # 5, p. 700 - 706
  作者：Komissarov, V. N.、Ukhin, L. Yu.、Vetoshkina, L. V.、Dupin, A. M.、Erin, A. N.

  DOI：——

  日期：——