4-[3-(1-Hydroxy-1-methyl-ethyl)-10-methoxy-8-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-piperidine-1-carboxylic acid tert-butyl ester | 218800-16-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并环庚烷吡啶
• 英文名称: 4-[3-(1-Hydroxy-1-methyl-ethyl)-10-methoxy-8-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-piperidine-1-carboxylic acid tert-butyl ester
• CAS: 218800-16-9
• 化学式: C₂₉H₃₈N₂O₄
• 分子量: 478.632
• InChiKey: XQKMSGGEXOEITN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.56
• 重原子数：
  35.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  71.89
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-[3-(1-Hydroxy-1-methyl-ethyl)-10-methoxy-8-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-piperidine-1-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(10-Methoxy-8-methyl-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-3-yl)-propan-2-ol
  参考文献：
  名称：

  Analogs of 4-(3-bromo-8-methyl-10-methoxy-6,11-dihydro-5H-benzo[5,6]-cyclohepta[1,2-b]pyridin-11-yl)-1-(4-pyridinylacetyl)piperidine N-oxide as inhibitors of farnesyl protein transferase

  摘要：

  A series of 3-substituted analogs 3 of 4-(3-bromo-8-methyl-10-methoxy-6,11-dihydro-5H-benzo[5,6]-cyclohepta[1,2b]pyridin-11-yl)-1-(4-pyridinylacetyl)piperidine N-oxide 2 was prepared and evaluated as FPT inhibitors. The objective of this study was to identify other substituents at C-3 in this series of FPT inhibitors that would have the FPT potency enhancement similar to that found for a C-3 bromo substituent. The 3-methyl analog 17b was found to be tenfold less active than 2, and other C-3 substituents having more steric bulk were found to cause a further reduction in activity, (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00287-5
• 作为产物：
  描述：

  4-(3-bromo-10-methoxy-8-methyl-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-piperidine 在 正丁基锂 作用下， 以 二氯甲烷 为溶剂， 生成 4-[3-(1-Hydroxy-1-methyl-ethyl)-10-methoxy-8-methyl-5,6-dihydro-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene]-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Analogs of 4-(3-bromo-8-methyl-10-methoxy-6,11-dihydro-5H-benzo[5,6]-cyclohepta[1,2-b]pyridin-11-yl)-1-(4-pyridinylacetyl)piperidine N-oxide as inhibitors of farnesyl protein transferase

  摘要：

  A series of 3-substituted analogs 3 of 4-(3-bromo-8-methyl-10-methoxy-6,11-dihydro-5H-benzo[5,6]-cyclohepta[1,2b]pyridin-11-yl)-1-(4-pyridinylacetyl)piperidine N-oxide 2 was prepared and evaluated as FPT inhibitors. The objective of this study was to identify other substituents at C-3 in this series of FPT inhibitors that would have the FPT potency enhancement similar to that found for a C-3 bromo substituent. The 3-methyl analog 17b was found to be tenfold less active than 2, and other C-3 substituents having more steric bulk were found to cause a further reduction in activity, (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00287-5