(2,4-dichloro-[1]naphthyloxy)-acetic acid | 5466-48-8

• 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: (2,4-dichloro-[1]naphthyloxy)-acetic acid
• 英文别名: O-(2.4-Dichlor-naphthyl-(1))-glykolsaeure；(2,4-Dichlor-[1]naphthyloxy)-essigsaeure；[(2,4-Dichloronaphthalen-1-yl)oxy]acetic acid；2-(2,4-dichloronaphthalen-1-yl)oxyacetic acid
• CAS: 5466-48-8
• 化学式: C₁₂H₈Cl₂O₃
• 分子量: 271.1
• InChiKey: CVODGKYLCCQHCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 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：

  Fmoc-L-亮氨酸 、 (2,4-dichloro-[1]naphthyloxy)-acetic acid 、 (3S)-3-(9-fluorenylmethoxycabonyl)amino-4-oxobutanoic acid tert-butyl ester semicarbazonyl-4-[2'-(4-ethyl-phenoxyacetic acid)] 生成 (S)-2-[2-(2,4-Dichloro-naphthalen-1-yloxy)-acetylamino]-4-methyl-pentanoic acid ((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide
  参考文献：
  名称：

  Acyl dipeptides as reversible caspase inhibitors. Part 1: Initial Lead Optimization

  摘要：

  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.

  DOI：

  10.1016/s0960-894x(02)00629-7
• 作为产物：
  描述：

  (2,4-dichloro-[1]naphthyloxy)-acetic acid ethyl ester 生成 (2,4-dichloro-[1]naphthyloxy)-acetic acid
  参考文献：
  名称：

  Haskelberg, Journal of Organic Chemistry, 1947, vol. 12, p. 435

  摘要：

  DOI：

文献信息

• Templeman; Sexton, Proceedings of the Royal Society of London. Series B, Biological sciences, 1946, vol. 133, p. 300,306
  作者：Templeman、Sexton

  DOI：——

  日期：——
• Haskelberg, Journal of Organic Chemistry, 1947, vol. 12, p. 435
  作者：Haskelberg

  DOI：——

  日期：——
• 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.