1-(4-Hydroxyphenyl)-7-[(1-naphthyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxaldehyde | 162512-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-Hydroxyphenyl)-7-[(1-naphthyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxaldehyde
• 英文别名: 1-(4-hydroxyphenyl)-7-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carbaldehyde
• CAS: 162512-51-8
• 化学式: C₂₅H₂₂N₂O₂
• 分子量: 382.462
• InChiKey: WJQANVBSRAIHQE-UHFFFAOYSA-N

物化性质

• 沸点：
  618.258±55.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.265±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-Hydroxyphenyl)-7-[(1-naphthyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxaldehyde 在 sodium tetrahydroborate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以71%的产率得到1-(4-Fluorophenyl)-7-[(1-naphthyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-methanol
  参考文献：
  名称：

  Synthesis and progesterone receptor binding affinity of substituted 1-phenyl-7-benzyl-4,5,6,7-tetrahydro-1-indazoles

  摘要：

  Research directed toward the discovery of non-steroidal ligands for steroid receptors led to the preparation of a series of substituted 1-phenyl-7-benzyltetrahydroindazole-3-carboxaldehydes. Appropriately substituted 3-formyl analogs (4) were found to bind with high affinity to progesterone receptors and showed agonist activity in human T47D cells but were inactive in several in vivo models for progestational activity. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10016-6
• 作为产物：
  描述：

  1-(4-Methoxyphenyl)-7-[(naphthyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxaldehyde 、 、 三溴化硼 在 水 、 Brine 、 hexanes 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以hexanes to give 0.40 g (12%) of the title compound as a white solid, m.p. >260° C.的产率得到1-(4-Hydroxyphenyl)-7-[(1-naphthyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxaldehyde
  参考文献：
  名称：

  Tetrahydroindazole, tetrahydrocyclopentapyrazole, and

  摘要：

  公式I的化合物：##STR1## 被揭示为治疗或预防高胆固醇血症，高脂蛋白血症和动脉硬化的有用化合物。还揭示了用于制备公式I化合物的新型中间体化合物。

  公开号：

  US05387693A1

文献信息

• US5387693A
  申请人：——

  公开号：US5387693A

  公开（公告）日：1995-02-07
• Synthesis and progesterone receptor binding affinity of substituted 1-phenyl-7-benzyl-4,5,6,7-tetrahydro-1-indazoles
  作者：Peter J. Connolly、Steven K. Wetter、Kimberly N. Beers、Stephanie C. Hamel、Donna Haynes-Johnson、Margaret Kiddoe、Pat Kraft、Muh Tsann Lai、Carolyn Campen、Stephen Palmer、Audrey Phillips

  DOI：10.1016/s0960-894x(97)10016-6

  日期：1997.10

  Research directed toward the discovery of non-steroidal ligands for steroid receptors led to the preparation of a series of substituted 1-phenyl-7-benzyltetrahydroindazole-3-carboxaldehydes. Appropriately substituted 3-formyl analogs (4) were found to bind with high affinity to progesterone receptors and showed agonist activity in human T47D cells but were inactive in several in vivo models for progestational activity. (C) 1997 Elsevier Science Ltd.
• Tetrahydroindazole, tetrahydrocyclopentapyrazole, and
  申请人：Ortho Pharmaceutical Corporation

  公开号：US05387693A1

  公开（公告）日：1995-02-07

  Compounds of the general formula I: ##STR1## are disclosed as useful in the treatment or prevention of hypercholesterolemia, hyperlipoproteinemia and atherosclerosis. Novel intermediate compounds used to make the compound of formula I are also disclosed.

  公式I的化合物：##STR1## 被揭示为治疗或预防高胆固醇血症，高脂蛋白血症和动脉硬化的有用化合物。还揭示了用于制备公式I化合物的新型中间体化合物。