(8a-Methylspiro[1,2,3,4,7,8-hexahydronaphthalene-6,2'-1,3-dithiolane]-1-yl)-(3,4,5-trimethoxyphenyl)methanol | 571203-01-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (8a-Methylspiro[1,2,3,4,7,8-hexahydronaphthalene-6,2'-1,3-dithiolane]-1-yl)-(3,4,5-trimethoxyphenyl)methanol
• 英文别名: (8a-methylspiro[1,2,3,4,7,8-hexahydronaphthalene-6,2'-1,3-dithiolane]-1-yl)-(3,4,5-trimethoxyphenyl)methanol
• CAS: 571203-01-5
• 化学式: C₂₃H₃₂O₄S₂
• 分子量: 436.637
• InChiKey: WCTXBBTWQDBGNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  98.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (8a-Methylspiro[1,2,3,4,7,8-hexahydronaphthalene-6,2'-1,3-dithiolane]-1-yl)-(3,4,5-trimethoxyphenyl)methanol 在 mercury(II) perchlorate 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 0.08h， 生成 5-[Hydroxy-(3,4,5-trimethoxy-phenyl)-methyl]-4a-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
  参考文献：
  名称：

  Design and evaluation of novel nonsteroidal dissociating glucocorticoid receptor ligands

  摘要：

  A novel class of phenylpyrazole fused Wieland-Miescher ketone derivatives are high affinity, receptor specific, selective modulators of glucocorticoid receptor (GR) mediated transcription in vitro, dissociating transactivation, AP-1 repression, and NF-kappaB repression from each other. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.052
• 作为产物：
  描述：

  9-甲基-delta-5(10)-辛-1,6-二酮 在 盐酸 、 叔丁基锂 、 双(三甲基硅烷基)氨基钾 、 对甲苯磺酸 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 8.5h， 生成 (8a-Methylspiro[1,2,3,4,7,8-hexahydronaphthalene-6,2'-1,3-dithiolane]-1-yl)-(3,4,5-trimethoxyphenyl)methanol
  参考文献：
  名称：

  Design and evaluation of novel nonsteroidal dissociating glucocorticoid receptor ligands

  摘要：

  A novel class of phenylpyrazole fused Wieland-Miescher ketone derivatives are high affinity, receptor specific, selective modulators of glucocorticoid receptor (GR) mediated transcription in vitro, dissociating transactivation, AP-1 repression, and NF-kappaB repression from each other. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.052

文献信息

• Non-steroidal ligands for the glucocorticoid receptor, compositions and uses thereof
  申请人：Scanlan S. Thomas

  公开号：US20050054700A1

  公开（公告）日：2005-03-10

  The invention provides non-steroidal ligands for the glucocorticoid receptor, methods for making non-steroidal ligands of the glucocorticoid receptor, compositions of non-steroidal ligands of the glucocorticoid receptor and methods of using non-steroidal ligands and compositions of non-steroidal ligands of the glucocorticoid receptor for treating or preventing diseases (e.g., obesity, diabetes, depression, neurodegeneration or an inflammatory disease) associated with glucocorticoid binding to the glucocorticoid receptor.

  本发明提供了糖皮质激素受体的非类固醇配体，制备糖皮质激素受体的非类固醇配体的方法，非类固醇配体的糖皮质激素受体的组合物以及使用非类固醇配体和非类固醇配体的糖皮质激素受体的组合物治疗或预防与糖皮质激素结合糖皮质激素受体相关的疾病（例如肥胖症、糖尿病、抑郁症、神经退行性疾病或炎症性疾病）。
• NON-STEROIDAL LIGANDS FOR THE GLUCOCORTICOID RECEPTOR, COMPOSITIONS AND USES THEREOF
  申请人：Scanlan Thomas S.

  公开号：US20110218225A1

  公开（公告）日：2011-09-08

  The invention provides non-steroidal ligands for the glucocorticoid receptor, methods for making non-steroidal ligands of the glucocorticoid receptor, compositions of non-steroidal ligands of the glucocorticoid receptor and methods of using non-steroidal ligands and compositions of non-steroidal ligands of the glucocorticoid receptor for treating or preventing diseases (e.g., obesity, diabetes, depression, neurodegeneration or an inflammatory disease) associated with glucocorticoid binding to the glucocorticoid receptor.

  本发明提供了糖皮质激素受体的非甾体配体，制备糖皮质激素受体的非甾体配体的方法，糖皮质激素受体的非甾体配体的组合物以及使用非甾体配体和糖皮质激素受体的非甾体配体的组合物治疗或预防与糖皮质激素结合到糖皮质激素受体相关的疾病（例如肥胖症，糖尿病，抑郁症，神经退行性疾病或炎症性疾病）。
• US6831093B2
  申请人：——

  公开号：US6831093B2

  公开（公告）日：2004-12-14
• US7485660B2
  申请人：——

  公开号：US7485660B2

  公开（公告）日：2009-02-03
• Design and evaluation of novel nonsteroidal dissociating glucocorticoid receptor ligands
  作者：Nilesh Shah、Thomas S. Scanlan

  DOI：10.1016/j.bmcl.2004.07.052

  日期：2004.10

  A novel class of phenylpyrazole fused Wieland-Miescher ketone derivatives are high affinity, receptor specific, selective modulators of glucocorticoid receptor (GR) mediated transcription in vitro, dissociating transactivation, AP-1 repression, and NF-kappaB repression from each other. (C) 2004 Elsevier Ltd. All rights reserved.