6-bromo-2,2-dimethyl-4-(4-methylphenyl)-3H-chromen-4-ol | 224950-73-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 6-bromo-2,2-dimethyl-4-(4-methylphenyl)-3H-chromen-4-ol
• CAS: 224950-73-6
• 化学式: C₁₈H₁₉BrO₂
• 分子量: 347.252
• InChiKey: DOBRFJHGHGBGJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-bromo-2,2-dimethyl-4-(4-methylphenyl)-3H-chromen-4-ol 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 生成 6-bromo-2,2-dimethyl-4-(p-tolyl)-2H-chromene
  参考文献：
  名称：

  A new class of potent rar antagonists: Dihydroanthracenyl, benzochromenyl and benzothiochromenyl retinoids

  摘要：

  The synthesis and biological activity of a novel series of tricyclic retinoic acid receptor antagonists are described. These compounds bind with high affinity to the RARs and are potent antagonists of retinoid function in in vitro and in vivo systems. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00077-3
• 作为产物：
  描述：

  6-溴-2,2-二甲基-4-二氢色原酮 、 甲基苯锂 以 四氢呋喃 为溶剂， 生成 6-bromo-2,2-dimethyl-4-(4-methylphenyl)-3H-chromen-4-ol
  参考文献：
  名称：

  A new class of potent rar antagonists: Dihydroanthracenyl, benzochromenyl and benzothiochromenyl retinoids

  摘要：

  The synthesis and biological activity of a novel series of tricyclic retinoic acid receptor antagonists are described. These compounds bind with high affinity to the RARs and are potent antagonists of retinoid function in in vitro and in vivo systems. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00077-3

文献信息

• Aryl or heteroaryl substituted 3,4-dihydroanthracene and aryl or heteroaryl substituted benzo[1,2-g]-chrom-3-ene, benzo[1,2-g]-thiochrom-3-ene and benzo [1,2-g]-1,2-dihydroquinoline derivatives having retinoid antagonist or retinoid inverse agonist type biological activity
  申请人：——

  公开号：US20030130515A1

  公开（公告）日：2003-07-10

  Compounds of the formula 1 where the symbols have the meaning defined in the specification, have retinoid, retinoid antagonist and/or retinoid inverse-agonist-like biological activity.

  具有以下式子1的化合物，在规范中定义的符号具有相应的含义，具有类视黄醇、类视黄醇拮抗剂和/或类视黄醇反向激动剂样生物活性。
• ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO 1,2-g]-CHROM-3-ENE, BENZO 1,2-g]-THIOCHROM-3-ENE AND BENZO 1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY
  申请人：Allergan Sales, Inc.

  公开号：EP0948478A1

  公开（公告）日：1999-10-13
• ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO[1,2-g]-CHROM-3-ENE, BENZO[1,2-g]-THIOCHROM-3-ENE AND BENZO[1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY
  申请人：Allergan Sales, Inc.

  公开号：EP0948478B1

  公开（公告）日：2002-04-10
• US5728846A
  申请人：——

  公开号：US5728846A

  公开（公告）日：1998-03-17
• US6087505A
  申请人：——

  公开号：US6087505A

  公开（公告）日：2000-07-11