N-(2,5-Dichlor-phenyl)-phthalamidsaeure | 19368-22-0

• 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: N-(2,5-Dichlor-phenyl)-phthalamidsaeure
• 英文别名: Phthalsaeure-mono-<2,5-dichlor-anilid>；N-(2,5-dichloro-phenyl)-phthalamic acid；2-[(2,5-Dichlorophenyl)carbamoyl]benzoic acid
• CAS: 19368-22-0
• 化学式: C₁₄H₉Cl₂NO₃
• mdl: MFCD00087451
• 分子量: 310.136
• InChiKey: DYKOTZPQCPXOGA-UHFFFAOYSA-N

物化性质

• 沸点：
  401.3±45.0 °C(Predicted)
• 密度：
  1.514±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(2,5-Dichlor-phenyl)-phthalamidsaeure 、 ditert-butyl (2S)-2-[[2-[(3aR,4S,6R,7R,7aS)-6-(aminomethyl)-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]acetyl]amino]pentanedioate 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 作用下， 生成 (S)-2-[2-((3aR,4S,6R,7R,7aS)-6-{[2-(2,5-Dichloro-phenylcarbamoyl)-benzoylamino]-methyl}-7-hydroxy-2,2-dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-4-yl)-acetylamino]-pentanedioic acid di-tert-butyl ester
  参考文献：
  名称：

  β-C-Mannosides as Selectin Inhibitors

  摘要：

  Potential E- and P-selectin inhibitors were synthesized to explore a hydrophobic area on the E-selectin surface and the PSGL-1 protein binding site on the P-selectin surface that was recently defined by crystallography. Three series of mannose-based compounds (libraries A, B, and C) were synthesized using solution phase parallel synthesis. Biological evaluation of these compounds was done using two ELISA-based assays and transferred NOE (trNOE) experiments. Some of the compounds showed better activity than sLe(x) in the P-selectin assay.

  DOI：

  10.1021/jm010390f
• 作为产物：
  描述：

  苯酐 、 2,5-二氯乙酰苯胺 在 三氯化铝 、 sodium chloride 作用下， 生成 N-(2,5-Dichlor-phenyl)-phthalamidsaeure
  参考文献：
  名称：

  Bedekar; Tilak; Venkataraman, Proceedings - Indian Academy of Sciences, Section A, 1948, vol. 28, p. 236,248

  摘要：

  DOI：

文献信息

• SALTS OF PAROXETINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1091958A1

  公开（公告）日：2001-04-18
• [EN] SALTS OF PAROXETINE<br/>[FR] SELS DE PAROXETINE
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000001692A1

  公开（公告）日：2000-01-13

  Piperidine compounds, processes for preparing them, pharmaceutical compositions comprising them and their use in therapy are disclosed.
• β-C-Mannosides as Selectin Inhibitors
  作者：Neelu Kaila、Lihren Chen、Thomas、Desiree Tsao、Steve Tam、Patricia W. Bedard、Raymond T. Camphausen、Juan C. Alvarez、Giliyar Ullas

  DOI：10.1021/jm010390f

  日期：2002.4.1

  Potential E- and P-selectin inhibitors were synthesized to explore a hydrophobic area on the E-selectin surface and the PSGL-1 protein binding site on the P-selectin surface that was recently defined by crystallography. Three series of mannose-based compounds (libraries A, B, and C) were synthesized using solution phase parallel synthesis. Biological evaluation of these compounds was done using two ELISA-based assays and transferred NOE (trNOE) experiments. Some of the compounds showed better activity than sLe(x) in the P-selectin assay.
• Bedekar; Tilak; Venkataraman, Proceedings - Indian Academy of Sciences, Section A, 1948, vol. <A> 28, p. 236,248
  作者：Bedekar、Tilak、Venkataraman

  DOI：——

  日期：——