(2-Methyl-naphthalen-1-yloxy)-acetic acid | 4712-94-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-Methyl-naphthalen-1-yloxy)-acetic acid
• 英文别名: 2-[(2-methyl-1-naphthalenyl)oxy]Acetic acid；2-(2-methylnaphthalen-1-yl)oxyacetic acid
• CAS: 4712-94-1
• 化学式: C₁₃H₁₂O₃
• 分子量: 216.236
• InChiKey: WKDFUCYYEWUYFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-Methyl-naphthalen-1-yloxy)-acetic acid 在 palladium on activated charcoal 三氯化铝 、 草酰氯 、 氢气 、 乙酸酐 、 copper(II) nitrate 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 、 苯 为溶剂， 生成 7-Amino-3,9-dimethyl-2,3-dihydro-benzo[de]chromen-3-ol
  参考文献：
  名称：

  The structure–activity relationships of mansonone F, a potent anti-MRSA sesquiterpenoid quinone: SAR studies on the C6 and C9 analogs

  摘要：

  For the systematic SAR study on mansonone F, a series of C6 and C9 analogs of mansonone F have been synthesized and their anti-MRSA activities were evaluated. Most of the analogs exhibited good or excellent anti-MRSA activities. In particular, the 6-n-butylmansonone F showed fourfold higher antibacterial activities compared to that of vancomycin. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.09.024
• 作为产物：
  描述：

  (2-Methyl-naphthalen-1-yloxy)-acetic acid methyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 (2-Methyl-naphthalen-1-yloxy)-acetic acid
  参考文献：
  名称：

  The structure–activity relationships of mansonone F, a potent anti-MRSA sesquiterpenoid quinone: SAR studies on the C6 and C9 analogs

  摘要：

  For the systematic SAR study on mansonone F, a series of C6 and C9 analogs of mansonone F have been synthesized and their anti-MRSA activities were evaluated. Most of the analogs exhibited good or excellent anti-MRSA activities. In particular, the 6-n-butylmansonone F showed fourfold higher antibacterial activities compared to that of vancomycin. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.09.024

文献信息

• Acyl dipeptides as reversible caspase inhibitors. Part 1: Initial Lead Optimization
  作者：Steven D. Linton、Donald S. Karanewsky、Robert J. Ternansky、Joe C. Wu、Brian Pham、Lalitha Kodandapani、Robert Smidt、Jose-Luis Diaz、Lawrence C. Fritz、Kevin J. Tomaselli

  DOI：10.1016/s0960-894x(02)00629-7

  日期：2002.10

  Parallel synthesis was used to explore the SAR of a peptidomimetic caspase inhibitor. The most potent compound had nanomolar activity against caspases 1, 3, 6, 7, and 8. (C) 2002 Elsevier Science Ltd. All rights reserved.
• BE624749
  申请人：——

  公开号：——

  公开（公告）日：——
• BE651724
  申请人：——

  公开号：——

  公开（公告）日：——
• US4663343A
  申请人：——

  公开号：US4663343A

  公开（公告）日：1987-05-05
• The structure–activity relationships of mansonone F, a potent anti-MRSA sesquiterpenoid quinone: SAR studies on the C6 and C9 analogs
  作者：Young-Ger Suh、Sun Nam Kim、Dong-Yun Shin、Soon-Sil Hyun、Do-Sang Lee、Kyung-Hoon Min、Sae Mi Han、Funan Li、Eung-Chil Choi、Seong-Hak Choi

  DOI：10.1016/j.bmcl.2005.09.024

  日期：2006.1

  For the systematic SAR study on mansonone F, a series of C6 and C9 analogs of mansonone F have been synthesized and their anti-MRSA activities were evaluated. Most of the analogs exhibited good or excellent anti-MRSA activities. In particular, the 6-n-butylmansonone F showed fourfold higher antibacterial activities compared to that of vancomycin. (c) 2005 Published by Elsevier Ltd.