1-(6,7-Dimethoxynaphthalen-2-yl)-2-methyl-1-[1-(2-trimethylsilylethoxymethyl)triazol-4-yl]propan-1-ol | 1375603-82-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(6,7-Dimethoxynaphthalen-2-yl)-2-methyl-1-[1-(2-trimethylsilylethoxymethyl)triazol-4-yl]propan-1-ol
• 英文别名: 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-[1-(2-trimethylsilylethoxymethyl)triazol-4-yl]propan-1-ol
• CAS: 1375603-82-9
• 化学式: C₂₄H₃₅N₃O₄Si
• 分子量: 457.645
• InChiKey: WDKINJIYRJVWEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.65
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(6,7-Dimethoxynaphthalen-2-yl)-2-methyl-1-[1-(2-trimethylsilylethoxymethyl)triazol-4-yl]propan-1-ol 在 四丁基氟化铵 、 cesium fluoride 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以25 mg的产率得到1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-1,2,3-triazol-4-yl)propan-1-ol
  参考文献：
  名称：

  [EN] COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS
  [FR] COMPOSITIONS DESTINÉES AU TRAITEMENT DE TUMEURS CÉRÉBRALES

  摘要：

  这项即时发明描述了包含赛维特龙和/或地塞米松的药物组合物和给药方案，以及治疗疾病、疾病症状的方法。

  公开号：

  WO2019182743A1
• 作为产物：
  描述：

  2-(三甲基硅烷基)乙氧甲基氯 在 正丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 29.75h， 生成 1-(6,7-Dimethoxynaphthalen-2-yl)-2-methyl-1-[1-(2-trimethylsilylethoxymethyl)triazol-4-yl]propan-1-ol
  参考文献：
  名称：

  [EN] COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS
  [FR] COMPOSITIONS DESTINÉES AU TRAITEMENT DE TUMEURS CÉRÉBRALES

  摘要：

  这项即时发明描述了包含赛维特龙和/或地塞米松的药物组合物和给药方案，以及治疗疾病、疾病症状的方法。

  公开号：

  WO2019182743A1

文献信息

• [EN] COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS<br/>[FR] COMPOSITIONS DESTINÉES AU TRAITEMENT DE TUMEURS CÉRÉBRALES
  申请人：INNOCRIN PHARMACEUTICALS INC

  公开号：WO2019182743A1

  公开（公告）日：2019-09-26

  The instant invention describes pharmaceutical compositions and dosing regimens comprising seviteronel and/or dexamethasone, and methods of treating diseases, disorders symptoms thereof.

  这项即时发明描述了包含赛维特龙和/或地塞米松的药物组合物和给药方案，以及治疗疾病、疾病症状的方法。
• [EN] METALLOENZYME INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE MÉTALLOENZYMES
  申请人：VIAMET PHARMACEUTICALS INC

  公开号：WO2012064943A3

  公开（公告）日：2012-07-05
• [EN] COMPOSITIONS FOR THE TREATMENT OF BRAIN TUMORS<br/>[FR] COMPOSITIONS POUR LE TRAITEMENT DE TUMEURS CÉRÉBRALES
  申请人：INNOCRIN PHARMACEUTICALS INC

  公开号：WO2020077197A1

  公开（公告）日：2020-04-16

  The instant invention describes pharmaceutical compositions and dosing regimens comprising radiation therapy and seviteronel with or without dexamethasone, and methods of treating diseases, disorders or symptoms thereof.

  这项即时发明描述了包括放射治疗和赛维特鲁内尔在内或不包括地塞米松的药物组合物和给药方案，以及治疗疾病、疾病或症状的方法。
• Highly-selective 4-(1,2,3-triazole)-based P450c17a 17,20-lyase inhibitors
  作者：Stephen W. Rafferty、Joel R. Eisner、William R. Moore、Robert J. Schotzinger、William J. Hoekstra

  DOI：10.1016/j.bmcl.2014.04.024

  日期：2014.6

  The orally-active CYP17A1 inhibitor abiraterone acetate (AA) decreases adrenal and intratumoral androgen biosynthesis and is an effective agent for the treatment of prostate cancer. Abiraterone potently inhibits both reactions catalyzed by CYP17, the 17 alpha-hydroxylase (hydroxylase) reaction as well as the 17,20-lyase (lyase) transformation. CYP17 hydroxylase inhibition prevents the synthesis of adrenal glucocorticoids and causes an accumulation of circulating mineralocorticoids. As a consequence of potent CYP17 hydroxylase inhibition (i.e., lack of lyase selectivity), AA must be co-administered with the cortisol replacement prednisone and patients may experience the effects of mineralocorticoid excess syndrome (MES). Herein, we describe rationally-designed, CYP17 lyase-selective inhibitors that could prove safer and more effective than abiraterone. Using proprietary methodology, the high-affinity pyridine or imidazole metal-binding group found in current clinical CYP17 inhibitors was replaced with novel, less avid, metal-binding groups in concert with potency-enhancing molecular scaffold modifications. This process produced a unique series of CYP17 lyase-selective inhibitors that included the oral agent 6 (VT-464), now in Phase 2 prostate cancer clinical trials. The chemical methodology described is potentially applicable to the design of new and more effective metalloenzyme inhibitor treatments for a broad array of diseases. (C) 2014 Elsevier Ltd. All rights reserved.