N-4-Carboxy-phenyl-D-glucosylamin | 23393-24-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-4-Carboxy-phenyl-D-glucosylamin
• 英文别名: 4-D-Glucosylamino-benzoesaeure；N-p-carboxyphenyl-d-glucosylamine；4-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]benzoic acid
• CAS: 23393-24-0
• 化学式: C₁₃H₁₇NO₇
• 分子量: 299.28
• InChiKey: VXMVXDITZWJXJN-OZRWLHRGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  140
• 氢给体数：
  6
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-4-Carboxy-phenyl-D-glucosylamin 生成 Sodium; 4-((3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-benzoate
  参考文献：
  名称：

  YOSHIKUMI, CHIKAO;OHMURA, YOSHIO;HIROSE, FUMIO;IKUZAWA, MASANORI;MATSUNAG+

  摘要：

  DOI：
• 作为产物：
  描述：

  对氨基苯甲酸 生成 N-4-Carboxy-phenyl-D-glucosylamin
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Drug evolution: drug design at hot spots
  申请人：Konishi Yasuo

  公开号：US20060110743A1

  公开（公告）日：2006-05-25

  A new method of designing and generating compounds having an increased probability of being drugs, drug candidates, or biologically active compounds, in particular having a therapeutic utility, is disclosed. The method consists of identifying a group of bioactive compounds, preferably of diverse therapeutic uses or biological activities and built on a common building block. In this group of compounds, side chains modifying the building block are identified and used to generate a second set of compounds according to the proposed methods of hybridization”, “single substitution” or “incorporation of frequently used side chains”. If the compounds in the second set built on the same building block contain an unusually large number of drugs, preferably with diverse therapeutic uses or biological activities, they constitute a “hot spot”. A focused combinatorial library of the “hot spot” is then generated, preferably by methods of combinatorial chemistry, and compounds of this library are screened for a variety of therapeutic uses or biological activities. The method generates drugs, drug candidates, or biologically active compounds with a high probability, without requiring any prior knowledge of biological targets.

  本文揭示了一种设计和生成化合物的新方法，这些化合物具有成为药物、药物候选物或生物活性化合物的概率增加，特别是具有治疗效用。该方法包括识别一组生物活性化合物，最好是具有不同治疗用途或生物活性，并建立在共同的基础上。在这组化合物中，识别修改基础结构的侧链，并使用“杂交”、“单一替换”或“纳入常用侧链”的建议方法生成第二组化合物。如果第二组化合物建立在相同的基础结构上，包含异常数量的药物，最好是具有不同治疗用途或生物活性，它们构成一个“热点”。然后通过组合化学的方法生成一个专注的组合式库，其中包括“热点”的化合物，并对该库中的化合物进行各种治疗用途或生物活性的筛选。该方法生成的药物、药物候选物或生物活性化合物具有高概率，无需任何先前的生物靶标知识。
• N-(substituted-phenyl)-D-glycopyranosylamines and their O-acetyl derivatives as potential modifiers of the formation of glycosaminoglycans
  作者：Lin Wang、Charles A. Maniglia、Sharon L. Mella、Alan C. Sartorelli

  DOI：10.1021/jm00363a020

  日期：1983.9

  D-Arabinosyl, D-ribosyl, D-glucosyl, D-galactosyl, D-mannosyl, and L-rhamnosyl N-glycosides of p-aminobenzoic acid and their O-acetyl derivatives have been synthesized, and their ability to (a) inhibit the replication of cultured B16 melanoma cells and (b) modify the synthesis of glycosaminoglycans by these neoplastic cells have been evaluated. The most cytotoxic compound of the series was N-(p-carboxyphenyl)-2,3,4-tri-O-acetyl-D-arabinopyranosylamine (8), which produced 50% inhibition of cellular proliferation at a concentration of 4 microM; a number of other compounds were relatively cytotoxic, causing 50% inhibition of cell replication at levels of 18 to 49 microM. These effects were not due to modification of glycosaminoglycan biosynthesis, since these compounds were ineffective as inhibitors or initiators of the formation of these macromolecules.
• YOSHIKUMI, CHIKAO;OHMURA, YOSHIO;HIROSE, FUMIO;IKUZAWA, MASANORI;MATSUNAG+
  作者：YOSHIKUMI, CHIKAO、OHMURA, YOSHIO、HIROSE, FUMIO、IKUZAWA, MASANORI、MATSUNAG+

  DOI：——

  日期：——
• OKADA, SATOSHI;NAKAHARA, HIROSHI;ISAKA, HIROSHI;TAGA, TOORU;MIYAJIMA, KOI+, CHEM. AND PHARM. BULL., 35,(1987) N 6, 2495-2503
  作者：OKADA, SATOSHI、NAKAHARA, HIROSHI、ISAKA, HIROSHI、TAGA, TOORU、MIYAJIMA, KOI+

  DOI：——

  日期：——
• ——
  作者：YOSHIKUMI CHIKAO、 OHMURA YOSHIO、 HIROSE FUMIO、 IKUZAWA MASANORI、 MATSUNAG+

  DOI：——

  日期：——