(2-hydroxy-4-methoxyphenyl)-(4-hydroxyphenyl)-methanone | 33257-86-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-hydroxy-4-methoxyphenyl)-(4-hydroxyphenyl)-methanone
• 英文别名: 2,4'-dihydroxy-4-methoxybenzophenone；2,4'-dihydroxy-4-methoxy-benzophenone；2,4'-Dihydroxy-4-methoxy-benzophenon；(2-hydroxy4-methoxyphenyl)-(4-hydroxyphenyl)-methanone；(2-Hydroxy-4-methoxyphenyl)(4-hydroxyphenyl)methanone；(2-hydroxy-4-methoxyphenyl)-(4-hydroxyphenyl)methanone
• CAS: 33257-86-2
• 化学式: C₁₄H₁₂O₄
• 分子量: 244.247
• InChiKey: IIKRDUUGDIYQTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-hydroxy-4-methoxyphenyl)-(4-hydroxyphenyl)-methanone 在 4-二甲氨基吡啶 、 potassium carbonate 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 21.0h， 生成 7-Methoxy-3-phenyl-4-[4-(5-piperidin-1-yl-pentyloxy)-phenyl]-chromen-2-one
  参考文献：
  名称：

  Lead identification of a potent benzopyranone selective estrogen receptor modulator

  摘要：

  Starting from a phenol screening hit (6), three series of benzopyranone selective estrogen receptor modulators (SERMs) have been designed, synthesized, and analyzed for both estrogen receptor alpha binding affinity and in vitro activity in two cell assays. The lead compound identified, SP500263 (13), was more potent than raloxifene and tamoxifen in a cell-based assay measuring inhibition of interleukin-6 release. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.081
• 作为产物：
  描述：

  4-甲氧基水杨酸 、 苯酚 在 zinc(II) chloride 作用下， 生成 (2-hydroxy-4-methoxyphenyl)-(4-hydroxyphenyl)-methanone
  参考文献：
  名称：

  Tasaki, Acta Phytochimica, 1924, vol. 2, p. 70

  摘要：

  DOI：

文献信息

• Synthesis and pharmacological evaluation of novel cis-3,4-Diaryl-hydroxychromanes as high affinity partial agonists for the estrogen receptor
  作者：Paul S. Bury、Lise B. Christiansen、Poul Jacobsen、Anker S. Jørgensen、Anders Kanstrup、Lars Nærum、Steven Bain、Christian Fledelius、Birgitte Gissel、Birgit S. Hansen、Niels Korsgaard、Susan M. Thorpe、Karsten Wassermann

  DOI：10.1016/s0968-0896(01)00257-7

  日期：2002.1

  The syntheses and in vitro pharmacological evaluation of a number of cis-3,4-diaryl-hydroxy-chromanes are reported, along with the results of a thorough in vivo profiling of the tissue-selective estrogen partial-agonist NNC 45-0781 [3, (-)-(3S,4R)-7-hydroxy-3-phenyl-4-(4-(2-pyrrolidinoethoxy)phenyl)chromane]. These studies showed that NNC 45-0781 is a very promising candidate for the prevention of

  报道了许多顺式3,4-二芳基-羟基-苯并二氢吡喃的合成和体外药理学评估，以及对体内组织选择性雌激素部分激动剂NNC 45-0781进行彻底体内分析的结果[3 ，（-）-（3S，4R）-7-羟基-3-苯基-4-（4-（2-吡咯烷基乙氧基）苯基）苯并二氢吡喃]。这些研究表明，NNC 45-0781是预防绝经后骨质疏松症以及治疗与内源性雌激素产生损失有关的其他健康问题的非常有前途的候选人。
• cis3, 4-chroman derivatives useful in the prevention or treatment of estrogen related diseases or syndromes
  申请人：Novo Nordisk A/S

  公开号：US06316494B1

  公开（公告）日：2001-11-13

  The present invention relates to therapeutically active compounds of formula I a method of preparing the same and to pharmaceutical compositions comprising the compounds. The novel compounds are useful in the prevention or treatment of estrogen related diseases or syndromes.

  本发明涉及公式I的治疗活性化合物，其制备方法以及包含该化合物的制药组合物。这些新型化合物在预防或治疗与雌激素有关的疾病或综合症方面具有用途。
• cis-3,4-chroman derivatives useful in the prevention or treatment of
  申请人：Novo Nordisk A/S

  公开号：US06043269A1

  公开（公告）日：2000-03-28

  The present invention relates to therapeutically active compounds of formula I ##STR1## a method of preparing the same and to pharmaceutical compositions comprising the compounds. The novel compounds are useful in the prevention or treatment of estrogen related diseases or syndromes.

  本发明涉及公式I的治疗活性化合物，其制备方法以及包括该化合物的药物组合物。这些新化合物可用于预防或治疗与雌激素有关的疾病或综合症。
• Synthetic polystyrene resin and its use in solid phase peptide synthesis
  申请人：Ciba-Geigy Corporation

  公开号：US04859736A1

  公开（公告）日：1989-08-22

  A synthetic resin based on a polystyrene that can be used as a support for solid phase peptide synthesis and that has been cross-linked with from 0 to 5 mol % of divinyl benzene, characterized in that it has been substituted at benzene rings of its skeletal structure by groups of the formula ##STR1## in which X represents --O-- or --NH-- and R represents C.sub.1 -C.sub.4 -alkyl, as a support renders possible the solid phase synthesis of peptides and peptide amides that are, if desired, protected at the N-terminal and/or at other functional groups. The resin is manufactured by reaction of a customary chloromethylated polystyrene resin with an alkali metal salt of the corresponding 4-hydroxybenzophenone and subsequent reduction of the carbonyl group and, optionally, amination.

  一种基于聚苯乙烯的合成树脂，可用作固相肽合成的支持，并且已经与0至5摩尔％的二乙烯苯交联，其特征在于其骨架结构的苯环已被式中X代表--O--或--NH--，R代表C.sub.1-C.sub.4-烷基的基团取代，作为支持使得肽和肽酰胺的固相合成成为可能，并且如果需要，可以在N端和/或其他功能基团处进行保护。该树脂通过将常规氯甲基化聚苯乙烯树脂与相应的4-羟基苯甲酮的碱金属盐反应，随后还原羰基团，可选择进行氨基化来制造。
• Trans-3,4-chroman derivatives useful in the prevention or treatment of
  申请人：Novo Nordisk

  公开号：US05994390A1

  公开（公告）日：1999-11-30

  The present invention relates to therapeutically active compounds of formula I ##STR1## a method of preparing the same and to pharmaceutical compositions comprising the compounds. The novel compounds are useful in the prevention or treatment of estrogen related diseases or syndromes.

  本发明涉及式I的治疗活性化合物，其公式为：##STR1## 以及制备该化合物的方法和包含该化合物的药物组合物。这些新型化合物在预防或治疗与雌激素相关的疾病或综合征方面具有用途。