(4-羟基苯基)-(2-甲氧基苯基)甲酮 | 72090-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (4-羟基苯基)-(2-甲氧基苯基)甲酮
• 英文名称: 2-Methoxy-4'-hydroxybenzophenon
• 英文别名: 4'-hydroxy-2-methoxy-benzophenone；4'-Hydroxy-2-methoxy-benzophenon；(4-Hydroxyphenyl)(2-methoxyphenyl)methanone；(4-hydroxyphenyl)-(2-methoxyphenyl)methanone
• CAS: 72090-61-0
• 化学式: C₁₄H₁₂O₃
• 分子量: 228.247
• InChiKey: BKGKCRVOQOWLQA-UHFFFAOYSA-N

物化性质

• 熔点：
  149 °C
• 沸点：
  435.5±30.0 °C(Predicted)
• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 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：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-羟基苯基)-(2-甲氧基苯基)甲酮 在 三氯化铝 作用下， 生成 2,4'-二羟基二苯甲酮
  参考文献：
  名称：

  4,4′-Benzophenone-O,O′-disulfamate: a potent inhibitor of steroid sulfatase

  摘要：

  We investigated whether the benzophenone moiety can be used as core element of steroid sulfatase (STS) inhibitors. While 4- and 3-benzophenone-O-sulfamates inhibit STS with IC50 values between 5 and 7 muM irrespective of additional hydroxy and methoxy substituents at the second phenyl ring, benzophenone-O,O'-disulfamates show increased activity. With an IC50 value of 190nM the 4,4'-derivative is the first small monocyclic STS inhibitor coming close to the potency of the steroidal standard estrone sulfamate. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00381-5
• 作为产物：
  描述：

  2-溴苯甲醚 在 manganese(IV) oxide 、 正丁基锂 、 氢氟酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 3.0h， 生成 (4-羟基苯基)-(2-甲氧基苯基)甲酮
  参考文献：
  名称：

  4,4′-Benzophenone-O,O′-disulfamate: a potent inhibitor of steroid sulfatase

  摘要：

  We investigated whether the benzophenone moiety can be used as core element of steroid sulfatase (STS) inhibitors. While 4- and 3-benzophenone-O-sulfamates inhibit STS with IC50 values between 5 and 7 muM irrespective of additional hydroxy and methoxy substituents at the second phenyl ring, benzophenone-O,O'-disulfamates show increased activity. With an IC50 value of 190nM the 4,4'-derivative is the first small monocyclic STS inhibitor coming close to the potency of the steroidal standard estrone sulfamate. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00381-5

文献信息

• Nakazawa; Baba, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1955, vol. 75, p. 378,380
  作者：Nakazawa、Baba

  DOI：——

  日期：——
• BHAVSAR, MADHURY D.;DESAI, VIJAYKANT B., MAN-MADE TEXT. INDIA , 31,(1988) N0, C. 431, 433, 435, 437-439
  作者：BHAVSAR, MADHURY D.、DESAI, VIJAYKANT B.

  DOI：——

  日期：——
• 4,4′-Benzophenone-O,O′-disulfamate: a potent inhibitor of steroid sulfatase
  作者：Peter Nussbaumer、Melitta Bilban、Andreas Billich

  DOI：10.1016/s0960-894x(02)00381-5

  日期：2002.8

  We investigated whether the benzophenone moiety can be used as core element of steroid sulfatase (STS) inhibitors. While 4- and 3-benzophenone-O-sulfamates inhibit STS with IC50 values between 5 and 7 muM irrespective of additional hydroxy and methoxy substituents at the second phenyl ring, benzophenone-O,O'-disulfamates show increased activity. With an IC50 value of 190nM the 4,4'-derivative is the first small monocyclic STS inhibitor coming close to the potency of the steroidal standard estrone sulfamate. (C) 2002 Elsevier Science Ltd. All rights reserved.