2-(6-hydroxy-1-naphthyl)-1,3-benzoxazol-6-ol | 595566-69-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-(6-hydroxy-1-naphthyl)-1,3-benzoxazol-6-ol
• 英文别名: 2-(6-Hydroxynaphthalen-1-yl)benzo(d)oxazol-6-ol；2-(6-hydroxynaphthalen-1-yl)-1,3-benzoxazol-6-ol
• CAS: 595566-69-1
• 化学式: C₁₇H₁₁NO₃
• 分子量: 277.279
• InChiKey: ZRGCERZQAHMXNC-UHFFFAOYSA-N

物化性质

• 沸点：
  515.6±25.0 °C(Predicted)
• 密度：
  1.415±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(6-hydroxy-1-naphthyl)-1,3-benzoxazol-6-ol 在 溴 作用下， 以 溶剂黄146 为溶剂， 生成 2-(5-Bromo-6-hydroxy-1-naphthyl)-1,3-benzoxazol-6-ol
  参考文献：
  名称：

  Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents

  摘要：

  该发明提供了化学式1的雌激素受体调节剂，具有结构1其中R1、R2、R3和R4以及规范中定义的X，或其药用盐。

  公开号：

  US20030171412A1
• 作为产物：
  描述：

  6-羟基-1-萘甲酸 、 2,4-二甲氧基苯胺 以The product was obtained as a tan solid, m.p. 273-275° C.的产率得到2-(6-hydroxy-1-naphthyl)-1,3-benzoxazol-6-ol
  参考文献：
  名称：

  Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents

  摘要：

  这项发明提供了公式1的雌激素受体调节剂，其结构为 其中， A为 其中， R1，R2，R3和R4以及X如规范中定义，或其药学上可接受的盐。

  公开号：

  US20050272786A1

文献信息

• PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION
  申请人：CHANG Chien-Neng

  公开号：US20090010884A1

  公开（公告）日：2009-01-08

  The present invention provides compositions and methods for preventing, treating, or inhibiting inflammatory diseases, disorders, or conditions of the skin, and diseases, disorders, or conditions associated with collagen depletion using one or more estrogenic agents.

  本发明提供了使用一个或多个雌激素类药物预防、治疗或抑制皮肤炎症性疾病、紊乱或状况以及与胶原蛋白流失相关的疾病、紊乱或状况的组合物和方法。
• US6960607B2
  申请人：——

  公开号：US6960607B2

  公开（公告）日：2005-11-01
• [EN] PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION<br/>[FR] COMPOSITIONS PHARMACEUTIQUES ET PROCÉDÉS POUR PRÉVENIR, TRAITER OU INHIBER DES MALADIES, DES TROUBLES OU DES AFFECTIONS INFLAMMATOIRES CUTANÉS ET DES MALADIES, DES TROUBLES OU DES AFFECTIONS ASSOCIÉS À UN APPAUVRISSEMENT EN COLLAGÈNE
  申请人：WYETH CORP

  公开号：WO2009009417A2

  公开（公告）日：2009-01-15

  The present invention provides compositions and methods for preventing, treating, or inhibiting inflammatory diseases, disorders, or conditions of the skin, and diseases, disorders, or conditions associated with collagen depletion using one or more estrogenic agents.
• Design and Synthesis of Aryl Diphenolic Azoles as Potent and Selective Estrogen Receptor-β Ligands
  作者：Michael S. Malamas、Eric S. Manas、Robert E. McDevitt、Iwan Gunawan、Zhang B. Xu、Michael D. Collini、Chris P. Miller、Tam Dinh、Ruth A. Henderson、James C. Keith、Heather A. Harris

  DOI：10.1021/jm049719y

  日期：2004.10.1

  New diphenolic azoles as highly selective estrogen receptor-beta agonists are reported. The more potent and selective analogues of these series have comparable binding affinities for ERbeta as the natural ligand 17beta-estradiol but are > 100-fold selective over ERalpha. Our design strategy not only followed a traditional SAR approach but also was supported by X-ray structures of ERbeta cocrystallized with various ligands as well as molecular modeling studies. These strategies enabled us to take advantage of a single conservative residue substitution in the ligand-binding pocket, ERalpha Met(421) --> ERbeta Ile(373), to optimize ERbeta selectivity. The 7-position-substituted benzoxazoles (Table 5) were the most selective ligands of both azole series, with ERB-041 (117) being >200-fold selective for ERbeta. The majority of ERbeta selective agonists tested that were at least similar to50-fold selective displayed a consistent in vivo profile: they were inactive in several models of classic estrogen action (uterotrophic, osteopenia, and vasomotor instability models) and yet were active in the HLA-B27 transgenic rat model of inflammatory bowel disease. These data suggest that ERbeta-selective agonists are devoid of classic estrogenic effects and may offer a novel therapy to treat certain inflammatory conditions.
• Naphthyl benzoxazoles and benzisoxazoles as estrogenic agents
  申请人：Wyeth

  公开号：US20030171412A1

  公开（公告）日：2003-09-11

  This invention provides estrogen receptor modulators of formula 1, having the structure 1 wherein R 1 , R 2 , R 3 , and R 4 , and X as defined in the specification, or a pharmaceutically acceptable salt thereof.

  该发明提供了化学式1的雌激素受体调节剂，具有结构1其中R1、R2、R3和R4以及规范中定义的X，或其药用盐。