3-(1,4-dithia)-8-methoxy-11b-methyl-2,3,5,6,11,11b-hexahydro-1H-benzo[a]carbazole | 880553-86-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-(1,4-dithia)-8-methoxy-11b-methyl-2,3,5,6,11,11b-hexahydro-1H-benzo[a]carbazole
• 英文别名: 3-[1,4-dithia]-8-methoxy-11b-methyl-2,5,6,11b-hexahydro-1H-benzo[a]carbazole；8'-methoxy-11'b-methylspiro[1,3-dithiolane-2,3'-2,5,6,11-tetrahydro-1H-benzo[a]carbazole]
• CAS: 880553-86-6
• 化学式: C₂₀H₂₃NOS₂
• 分子量: 357.541
• InChiKey: DQQBJNRGBDQIQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  75.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(1,4-dithia)-8-methoxy-11b-methyl-2,3,5,6,11,11b-hexahydro-1H-benzo[a]carbazole 在 mercury(II) perchlorate 、 吡啶盐酸盐 、 sodium hydride 、 calcium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.91h， 生成 8-hydroxy-11,11b-dimethyl-1,2,5,6,11,11b-hexahydro-benzo[a]carbazol-3-one
  参考文献：
  名称：

  Discovery of indole-containing tetracycles as a new scaffold for androgen receptor ligands

  摘要：

  A novel series of tetracyclic indoles have been designed, synthesized and evaluated as androgen receptor (AR) ligands. Studies of structure-activity relationships (SARs) were investigated, which led to some compounds in this series as strong binders to androgen receptors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.047
• 作为产物：
  描述：

  9-甲基-delta-5(10)-辛-1,6-二酮 在 盐酸 、 zinc(II) iodide 作用下， 以 1,4-二氧六环 、 乙醚 、 乙醇 为溶剂， 反应 14.0h， 生成 3-(1,4-dithia)-8-methoxy-11b-methyl-2,3,5,6,11,11b-hexahydro-1H-benzo[a]carbazole
  参考文献：
  名称：

  Discovery of indole-containing tetracycles as a new scaffold for androgen receptor ligands

  摘要：

  A novel series of tetracyclic indoles have been designed, synthesized and evaluated as androgen receptor (AR) ligands. Studies of structure-activity relationships (SARs) were investigated, which led to some compounds in this series as strong binders to androgen receptors. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.047

文献信息

• [EN] NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS<br/>[FR] NOUVEAUX DERIVES CONTENANT DES HETEROATOMES TETRACYCLIQUES MODULATEURS DES RECEPTEURS DES HORMONES STEROIDIENNES SEXUELLES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006034090A1

  公开（公告）日：2006-03-30

  The present invention is directed to novel tetracyclic heteroatom containing derivatives, pharmaceutical compositions containing them, their use in the treatment of disorders mediated by one or more sex steroid hormone receptors and processes for their preparation.

  本发明涉及新型四环杂原子含有衍生物，含有它们的药物组合物，它们在治疗由一个或多个性激素受体介导的疾病中的应用以及它们的制备方法。
• NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS
  申请人：SUI Zhihua

  公开号：US20080114048A1

  公开（公告）日：2008-05-15

  The present invention is directed to novel tetracyclic heteroatom containing derivatives, pharmaceutical compositions containing them, their use in the treatment of disorders mediated by one or more sex steroid hormone receptors and processes for their preparation.

  本发明涉及新型四环杂原子含有衍生物，包含它们的药物组合物，它们在治疗由一个或多个性激素受体介导的疾病中的应用以及它们的制备方法。
• US7338973B2
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  公开（公告）日：2008-03-04
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