贝那昔滨 | 27661-27-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 贝那昔滨
• 中文别名: 白拉克西宾；4-(D-吡喃木糖基氨基)苯甲酸
• 英文名称: 4-D-Xylosylamino-benzoesaeure
• 英文别名: Benaxibine；4-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
• CAS: 27661-27-4
• 化学式: C₁₂H₁₅NO₆
• 分子量: 269.254
• InChiKey: HLDUHCYBUVVDOT-GZBOUJLJSA-N

物化性质

• 熔点：
  155-157℃
• 沸点：
  569.2±50.0 °C(Predicted)
• 密度：
  1.622

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  119
• 氢给体数：
  5
• 氢受体数：
  7

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  贝那昔滨 、 乙酸酐 在 吡啶 作用下， 反应 48.0h， 以83%的产率得到acetyl 4-[[(2R,3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]amino]benzoate
  参考文献：
  名称：

  Synthesis of N-(substituted phenyl)-D-xylopyranosylamines as potential modifiers of the formation of glycosaminoglycans

  摘要：

  N-(Substituted-phenyl)-D-xylopyranosylamines and their O-peracetyl derivatives have been synthesized and tested for their ability (a) to inhibit the replication of cultured B16 melanoma cells and (b) to modify the synthesis of glycosaminoglycans by these neoplastic cells. The most cytotoxic compound synthesized was N-(p-methoxyphenyl)-D-xylopyranosylamine (6), which produced 50% inhibition of cellular proliferation at a concentration of 2 microM; a number of other compounds were relatively cytotoxic, causing 50% inhibition of cell replication at levels of 12 to 25 microM. Several of the synthesized xylosides appeared to be capable of serving as artificial initiators of glycosaminoglycan synthesis, with the most active agents causing approximately 2- to 4-fold increases in the incorporation of [35S]sulfate into the glycosaminoglycans of B16 melanoma cells excreted into the culture medium.

  DOI：

  10.1021/jm00359a002
• 作为产物：
  描述：

  D-吡喃木糖 、 对氨基苯甲酸 在 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 以66%的产率得到贝那昔滨
  参考文献：
  名称：

  Synthesis of N-(substituted phenyl)-D-xylopyranosylamines as potential modifiers of the formation of glycosaminoglycans

  摘要：

  N-(Substituted-phenyl)-D-xylopyranosylamines and their O-peracetyl derivatives have been synthesized and tested for their ability (a) to inhibit the replication of cultured B16 melanoma cells and (b) to modify the synthesis of glycosaminoglycans by these neoplastic cells. The most cytotoxic compound synthesized was N-(p-methoxyphenyl)-D-xylopyranosylamine (6), which produced 50% inhibition of cellular proliferation at a concentration of 2 microM; a number of other compounds were relatively cytotoxic, causing 50% inhibition of cell replication at levels of 12 to 25 microM. Several of the synthesized xylosides appeared to be capable of serving as artificial initiators of glycosaminoglycan synthesis, with the most active agents causing approximately 2- to 4-fold increases in the incorporation of [35S]sulfate into the glycosaminoglycans of B16 melanoma cells excreted into the culture medium.

  DOI：

  10.1021/jm00359a002

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。
• Diagnostic/therapeutic agents
  申请人：Klaveness Jo

  公开号：US20050002865A1

  公开（公告）日：2005-01-06

  Targetable diagnostic and/or therapeutically active agents, e.g. ultrasound contrast agents, comprising a suspension in an aqueous carrier liquid of a reporter comprising gas-containing or gas-generating material, said agent being capable of forming at least two types of binding pairs with a target.

  可定位的诊断和/或治疗活性剂，例如超声对比剂，包括悬浮在水载体液中的报告物，该报告物包含含气体或生成气体的材料，该剂能够与目标形成至少两种结合对。
• CD44 binding peptides
  申请人：Endosignals Medizintechnik GmbH

  公开号：EP2886126A1

  公开（公告）日：2015-06-24

  The present invention relates to a protein which binds to the domain encoded by exon 9 of human CD44 (CD44ex9), to fusion proteins and conjugates of said protein and especially to nanoparticles conjugated to said protein. The invention further relates to a method of production for the protein and the respective conjugated nanoparticles and the use of the protein of the invention for treatment and diagnosis of cancer diseases.

  本发明涉及一种与人 CD44 外显子 9（CD44ex9）编码结构域结合的蛋白质、所述蛋白质的融合蛋白和共轭物，特别是与所述蛋白质共轭的纳米颗粒。本发明还涉及该蛋白质和相应共轭纳米颗粒的生产方法，以及本发明蛋白质在癌症疾病治疗和诊断中的应用。
• Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration
  申请人：Counts David F.

  公开号：US10463611B2

  公开（公告）日：2019-11-05

  The present disclosure provides a once-daily water-soluble pharmaceutically active formulation for oral administration. In certain embodiments, the composition comprises a water-soluble pharmaceutically active organic compound incorporated into a small particulate, each particulate having a core of the water-soluble pharmaceutically active organic compound or an acceptable salt thereof in reversible association with a pharmaceutically acceptable drug-binding polymer. The core of the composition being surrounded by an insoluble water permeable membrane that is capable of delaying the dissolution of the pharmaceutically active compound therewithin and providing for extended release of the pharmaceutically active compound. In some embodiments, the formulation of the invention are designed to extend release of the pharmaceutically active organic compound for about 3 hours to about 8 hours, thereby enabling preparation of an extended release formulation for any pharmaceutically active compound with a half-life of from about 16 hours to about 21 hours.

  本公开提供了一种用于口服的每日一次水溶性药用活性制剂。在某些实施方案中，该组合物包括掺入小颗粒中的水溶性药用活性有机化合物，每个颗粒都有一个水溶性药用活性有机化合物或其可接受盐的核心，该核心与药学上可接受的药物结合聚合物可逆结合。组合物的核心由不溶性透水膜包围，该膜能够延迟其中的药用活性化合物的溶解，并延长药用活性化合物的释放时间。在某些实施方案中，本发明的制剂可将药用活性有机化合物的释放时间延长约 3 小时至约 8 小时，从而能够制备半衰期为约 16 小时至约 21 小时的任何药用活性化合物的缓释制剂。
• LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY
  申请人：Scidose, Llc

  公开号：EP1954244A1

  公开（公告）日：2008-08-13