8-(Hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol | 1331750-61-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 8-(Hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
• 英文别名: 8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
• CAS: 1331750-61-8
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: CZBOLULNDBBCMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  52.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-(Hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol 、 苯酰胺,N-[4-氯-3-(三氟甲基)苯基]- 以 二甲基亚砜 为溶剂， 反应 16.0h， 以60%的产率得到1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
  参考文献：
  名称：

  Naphthol derivatives as TRPV1 inhibitors for the treatment of urinary incontinence

  摘要：

  We have identified naphthol derivatives as inhibitors of the vanilloid receptor TRPV1 by high throughput screening. The initial lead showed high clearance in rats and has been optimized by enhancing the acidity of the phenol group. Compound 6b has reduced clearance, improved potency and is active in rat cystometry models of urinary incontinence after intravenous administration. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.013
• 作为产物：
  描述：

  (1E)-N-羟基-7-甲氧基-3,4-二氢-1(2H)-萘亚胺 在 palladium 10% on activated carbon 、 氢气 、 三溴化硼 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 16.0h， 生成 8-(Hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
  参考文献：
  名称：

  Naphthol derivatives as TRPV1 inhibitors for the treatment of urinary incontinence

  摘要：

  We have identified naphthol derivatives as inhibitors of the vanilloid receptor TRPV1 by high throughput screening. The initial lead showed high clearance in rats and has been optimized by enhancing the acidity of the phenol group. Compound 6b has reduced clearance, improved potency and is active in rat cystometry models of urinary incontinence after intravenous administration. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.013