4-(3-chloroindazol-2-yl)phenol | 848142-60-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(3-chloroindazol-2-yl)phenol
• 英文别名: 4-(3-Chloro-indazol-2-yl)-phenol
• CAS: 848142-60-9
• 化学式: C₁₃H₉ClN₂O
• 分子量: 244.68
• InChiKey: RHTYLNDFEDGXEM-UHFFFAOYSA-N

物化性质

• 熔点：
  194-195 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• 沸点：
  301.5±34.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-溴-2-氯乙烷 、 4-(3-chloroindazol-2-yl)phenol 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 反应 36.0h， 以88%的产率得到3-chloro-2-[4-(2-chloro-ethoxy)-phenyl]-2H-indazole
  参考文献：
  名称：

  N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION

  摘要：

  本发明涉及一种化学类别的双芳基氮连接杂环化合物，它们是LTA4H（白三烯A4水解酶）的抑制剂。这些化合物具有一般式：它们可用于治疗和预防和预防炎症性疾病和紊乱。

  公开号：

  US20070142434A1
• 作为产物：
  描述：

  2-(4-甲氧基苯基)-2H-吲唑 在 N-氯代丁二酰亚胺 、 三氟二甲基硫醚络合物 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 4-(3-chloroindazol-2-yl)phenol
  参考文献：
  名称：

  Indazole Estrogens:  Highly Selective Ligands for the Estrogen Receptor β

  摘要：

  The estrogen receptors, ERalpha and ERbeta, are important pharmaceutical targets. To develop ERbeta-selective ligands, we synthesized a series of nonsteroidal compounds having a phenyl-2H-indazole core with different groups at C-3. Several of these show high affinity and good ERbeta selectivity, especially those with polar and/or polarizable substituents at this site (halogen, CF3, nitrile); the best compounds have affinities for ERbeta comparable to estradiol, with ERbeta affinity selectivity > 100. This potency and ERbeta selectivity is also seen in cell-based transcriptional assays, where several compounds showed ERbeta efficacies equivalent to that of estradiol with ERbeta potency selectivities of 100. These compounds might prove useful as selective pharmacological probes to study the biological actions of estrogens mediated through ERP, and they might lead to the development of useful pharmaceuticals. These findings also contribute to an evolving pharmacophore that characterizes certain nonsteroidal ligands having high ERbeta subtype affinity and potency selectivity.

  DOI：

  10.1021/jm049223g

文献信息

• N-linked aryl heteroaryl inhibitors of LTA4H for treating inflammation
  申请人：deCODE genetics, ehf

  公开号：US07674802B2

  公开（公告）日：2010-03-09

  The present invention relates to a chemical genus of biaryl nitrogen-attached heterocycles that are inhibitors of LTA4H (leukotriene A4 hydrolase). The compounds have the general formula: They are useful for the treatment and prevention and prophylaxis of inflammatory diseases and disorders.

  本发明涉及一种化学类别的双芳基氮连接杂环，它们是LTA4H（白三烯A4水解酶）的抑制剂。这些化合物的一般公式为：它们对于治疗和预防炎症性疾病和紊乱是有用的。
• US7674802B2
  申请人：——

  公开号：US7674802B2

  公开（公告）日：2010-03-09
• [EN] N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION<br/>[FR] INHIBITEURS ARYLE HETEROARYLE A LIAISON AZOTE DE LTA4H UTILISES DANS LE TRAITEMENT DE L'INFLAMMATION
  申请人：DECODE CHEMISTRY INC

  公开号：WO2007073405A1

  公开（公告）日：2007-06-28

  [EN] The present invention relates to a chemical genus of biaryl nitrogen-attached heterocycles that are inhibitors of LTA4H (leukotriene A4 hydrolase). The compounds have the general formula: They are useful for the treatment and prevention and prophylaxis of inflammatory diseases and disorders.
  [FR] La présente invention concerne un genre chimique d'hétérocyles biaryle à liaison azote, inhibiteurs de la LTA4H (leucotriène A4 hydrolase). Le composés sont représentés par la formule suivante, et sont utilisés dans le traitement et la prévention de la prophylaxie de maladies et de troubles inflammatoires.
• Indazole Estrogens:  Highly Selective Ligands for the Estrogen Receptor β
  作者：Meri De Angelis、Fabio Stossi、Kathryn A. Carlson、Benita S. Katzenellenbogen、John A. Katzenellenbogen

  DOI：10.1021/jm049223g

  日期：2005.2.1

  The estrogen receptors, ERalpha and ERbeta, are important pharmaceutical targets. To develop ERbeta-selective ligands, we synthesized a series of nonsteroidal compounds having a phenyl-2H-indazole core with different groups at C-3. Several of these show high affinity and good ERbeta selectivity, especially those with polar and/or polarizable substituents at this site (halogen, CF3, nitrile); the best compounds have affinities for ERbeta comparable to estradiol, with ERbeta affinity selectivity > 100. This potency and ERbeta selectivity is also seen in cell-based transcriptional assays, where several compounds showed ERbeta efficacies equivalent to that of estradiol with ERbeta potency selectivities of 100. These compounds might prove useful as selective pharmacological probes to study the biological actions of estrogens mediated through ERP, and they might lead to the development of useful pharmaceuticals. These findings also contribute to an evolving pharmacophore that characterizes certain nonsteroidal ligands having high ERbeta subtype affinity and potency selectivity.
• N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION
  申请人：Sandanayaka Vincent

  公开号：US20070142434A1

  公开（公告）日：2007-06-21

  The present invention relates to a chemical genus of biaryl nitrogen-attached heterocycles that are inhibitors of LTA4H (leukotriene A4 hydrolase). The compounds have the general formula: They are useful for the treatment and prevention and prophylaxis of inflammatory diseases and disorders.

  本发明涉及一种化学类别的双芳基氮连接杂环化合物，它们是LTA4H（白三烯A4水解酶）的抑制剂。这些化合物具有一般式：它们可用于治疗和预防和预防炎症性疾病和紊乱。