2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-ethoxy]-benzoylamino}-propionic acid

• 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-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-ethoxy]-benzoylamino}-propionic acid
• 英文别名: (2S)-2-(benzenesulfonamido)-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid
• 化学式: C₂₂H₂₇N₅O₆S
• 分子量: 489.552
• InChiKey: XAHWDFRDQNVXQX-IBGZPJMESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  34
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  167
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(2-氨基乙氧基)苯甲酸甲酯 在 palladium on activated charcoal N-甲基吗啉 、 盐酸 、 sodium hydroxide 、 氢气 、 1-羟基苯并三唑 、 溶剂黄146 、 苯甲醚 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 80.0 ℃ 、310.26 kPa 条件下， 反应 110.0h， 生成 2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-ethoxy]-benzoylamino}-propionic acid
  参考文献：
  名称：

  Nonpeptide α_vβ₃ Antagonists. 1. Transformation of a Potent, Integrin-Selective α_IIbβ₃ Antagonist into a Potent α_vβ₃ Antagonist

  摘要：

  Modification of the potent fibrinogen receptor (alpha(IIb)beta(3)) antagonist 1 generated compounds with high affinity for the vitronectin receptor alpha(v)beta(3). Sequential modification of the basic N-terminus of 1 led to the identification of the 5,6,7,8-tetrahydro[1,8]naphthyridine moiety (THN) as a lipophilic, moderately basic N-terminus that provides molecules with excellent potency and selectivity for the integrin receptor alpha(v)beta(3). The THN-containing analogue 5 is a potent inhibitor of bone resorption in vitro and in vivo. In addition, the identification of a novel, nonpeptide radioligand with high affinity to alpha(v)beta(3) is also reported.

  DOI：

  10.1021/jm000133v

文献信息

• Targeted multivalent macromolecules
  申请人：TARGESOME, INC.

  公开号：US20030129223A1

  公开（公告）日：2003-07-10

  Targeted therapeutic agents, comprising a linking carrier, a therapeutic entity associated with the linking carrier, and at least one targeting entity are provided, as well as methods for their preparation and use.

  靶向治疗剂，包括一个连接载体，与连接载体相关联的治疗实体，以及至少一个靶向实体，以及它们的制备和使用方法。
• Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated
  申请人：Merck & Co., Inc.

  公开号：US05741796A1

  公开（公告）日：1998-04-21

  Compounds of the following general structure X-Y-Z-Aryl-A-B, for example, ##STR1## which inhibit osteoclast mediated bone resorption. Specifically, the compounds are useful for treating mammals suffering from a bone condition caused or mediated by increased bone resorption, who are in need of such therapy. The compounds may be administered in oral dosage forms such as tablets, capsules, e.g. sustained release capsules, powders, granules, and suspensions.

  以下具有一般结构X-Y-Z-Aryl-A-B的化合物，例如##STR1##，可以抑制破骨细胞介导的骨吸收。具体而言，这些化合物可用于治疗因骨吸收增加引起或介导的骨病症状的哺乳动物，需要此类治疗。这些化合物可以以口服剂量形式给予，例如片剂、胶囊，例如持续释放胶囊，粉末，颗粒和悬浮液。
• Guainidino, formamidino, amino and related compounds for inhibiting
  申请人：Merck & Co., Inc.

  公开号：US05929120A1

  公开（公告）日：1999-07-27

  Compounds of the following general structure X--Y--Z-Aryl-A--B, ##STR1## which inhibit osteoclast mediated bone resorption.

  下列一般结构为X--Y--Z-Aryl-A--B的化合物，可以抑制破骨细胞介导的骨吸收。##STR1##
• Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy
  申请人：Amberg Wilhelm

  公开号：US20090311266A1

  公开（公告）日：2009-12-17

  The invention relates to the use of an endothelin blocker in combination with an α v β 3 integrin receptor antagonist for the treatment or prevention of diseases, particularly to the use of a pharmaceutical composition, comprising an endothelin blocker and an α v β 3 integrin receptor antagonist, for the treatment or prevention of cardiovascular disorders, particularly for the treatment or prevention of restenosis after vessel injury or revascularisation treatment and to the pharmaceutical composition itself.

  本发明涉及将内皮素阻滞剂与αvβ3整合素受体拮抗剂结合使用以治疗或预防疾病，特别是涉及使用一种制药组合物，包括内皮素阻塞剂和αvβ3整合素受体拮抗剂，用于治疗或预防心血管疾病，特别是用于治疗或预防血管损伤或再血管化治疗后的再狭窄，以及该制药组合物本身。
• Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy
  申请人：Geneste Herve

  公开号：US20060159678A1

  公开（公告）日：2006-07-20

  The invention relates to the use of modulators of cytokine mediated signalling pathways in combination with integrin α v β 3 receptor antagonists for the treatment or prevention of diseases, particularly to the use of a pharmaceutical composition, comprising a modulator of cytokine mediated signalling pathways and an integrin α v β 3 receptor antagonist, for the treatment or prevention of inflammatory or autoimmune disorders, particularly for the treatment or prevention of rheumatoid arthritis and to the pharmaceutical composition itself.

  本发明涉及将细胞因子介导的信号通路调节剂与整合素 α v β 3 受体拮抗剂用于治疗或预防疾病，特别是涉及一种药物组合物的用途，该药物组合物由细胞因子介导的信号通路调节剂和整合素 α v β 3 v β 3 受体拮抗剂，用于治疗或预防炎症性或自身免疫性疾病，特别是治疗或预防类风湿性关节炎，以及药物组合物本身。