piperazine-1,4-dicarboxylic acid bis-{4-[(2S)-2-carboxy-2-((4R)-5,5-dimethyl-3-(toluene-4-sulfonyl)thiazolidine-4-carboxamido)ethyl]phenyl} ester | 220547-28-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: piperazine-1,4-dicarboxylic acid bis-{4-[(2S)-2-carboxy-2-((4R)-5,5-dimethyl-3-(toluene-4-sulfonyl)thiazolidine-4-carboxamido)ethyl]phenyl} ester
• 英文别名: Piperazine-1,4-dicarboxylic Acid Bis-{4-[(2S)-2-carboxy-2((4R)-5,5-dimethyl-3-(toluene-4-sulfonyl)thiazolidine-4-carboxamido)ethyl]phenyl}Ester；(2S)-3-[4-[4-[4-[(2S)-2-carboxy-2-[[(4R)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carbonyl]amino]ethyl]phenoxy]carbonylpiperazine-1-carbonyl]oxyphenyl]-2-[[(4R)-5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine-4-carbonyl]amino]propanoic acid
• CAS: 220547-28-4
• 化学式: C₅₀H₅₈N₆O₁₄S₄
• 分子量: 1095.31
• InChiKey: VYRVQSLXNDOXHZ-ATUXXYJQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  74
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  334
• 氢给体数：
  4
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  piperazine-1,4-dicarboxylic acid bis-{4-[(2S)-2-tert-butoxycarbonyl-2-((4R)-5,5-dimethyl-3-(toluene-4-sulfonyl)thiazolidine-4-carboxamido)ethyl]phenyl} ester 以 甲酸 为溶剂， 以to give a white foam (300 mg, quantitative)的产率得到piperazine-1,4-dicarboxylic acid bis-{4-[(2S)-2-carboxy-2-((4R)-5,5-dimethyl-3-(toluene-4-sulfonyl)thiazolidine-4-carboxamido)ethyl]phenyl} ester
  参考文献：
  名称：

  Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4

  摘要：

  本发明涉及能够结合VLA-4的化合物。其中某些化合物还能够抑制白细胞粘附，特别是通过VLA-4介导的白细胞粘附。这些化合物对于治疗哺乳动物患者（例如人类）的炎症性疾病非常有用，如哮喘、阿尔茨海默病、动脉硬化、艾滋病痴呆、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血等。这些化合物也可以用于治疗炎症性脑部疾病，如多发性硬化。

  公开号：

  US07229970B2

文献信息

• Steroid sparing agents and methods of using same
  申请人：Lieberburg Ivan

  公开号：US20060004019A1

  公开（公告）日：2006-01-05

  This invention relates generally to methods of treatment of inflammatory bowel diseases (IBD), asthma, multiple schlerosis (MS), rheumatoid arthritis (RA), graft vs. host disease (GVHD), host vs. graft disease, and various spondyloarthropathies, comprising administering a steroid sparing immunoglobulin or small molecule composition to a patient in need thereof. The invention also relates generally to combination therapies for the treatment of these conditions.

  本发明涉及治疗炎症性肠病(IBD)、哮喘、多发性硬化症(MS)、类风湿性关节炎(RA)、移植物抗宿主病(GVHD)、宿主抗移植物病以及各种脊柱关节病的方法，包括向需要治疗的患者投予一种节省类固醇的免疫球蛋白或小分子组合物。本发明还涉及治疗这些疾病的联合疗法。
• Methods and compositions for treating rheumatoid arthritis
  申请人：Yednock A. Theodore

  公开号：US20050065192A1

  公开（公告）日：2005-03-24

  This application relates to methods and compositions for treating rheumatoid arthritis by administering a combination therapy comprising methotrexate and an antibody to alpha-4 integrin or an immunologically active antigen binding fragment in therapeutically effective amounts. The application also relates generally to methods and compositions for treating rheumatoid arthritis by administering a combination therapy comprising methotrexate and small molecule alpha-4 integrin antagonist that inhibits the alpha-4 integrin (α4 integrin) interaction with VCAM-1. The invention further relates to methods of preparing the compounds and methods of using the compounds and compositions.

  本申请涉及通过以治疗有效剂量给予甲氨蝶呤和α-4整合素抗体或免疫活性抗原结合片段的联合治疗方法和组合物，治疗类风湿性关节炎。该申请还涉及通过以治疗有效剂量给予甲氨蝶呤和小分子α-4整合素拮抗剂的联合治疗方法和组合物，该拮抗剂抑制α-4整合素（α4整合素）与VCAM-1的相互作用，通常涉及制备化合物的方法和使用化合物和组合物的方法。
• Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents
  申请人：Karlik J. Stephen

  公开号：US20050069541A1

  公开（公告）日：2005-03-31

  The application provides for methods and compositions for inhibiting demyelination, promoting remyelination and/or treating paralysis in a subject in need thereof. Preferably, such compositions include immunoglobulins (e.g., antibodies, antibody fragments, and recombinantly produced antibodies or fragments), polypeptides (e.g., soluble forms of the ligand proteins for integrins) and small molecules, which when administered in an effective amount inhibits demyelination and/or promotes remyelination in a patient. The compositions and methods described herein can also utilize other anti-inflammatory agents used to palliate conditions and diseases associated with demyelination.

  该应用程序提供了一种抑制脱髓鞘、促进再髓鞘化和/或治疗瘫痪的方法和组合物，适用于需要此类治疗的患者。最好的情况下，这样的组合物包括免疫球蛋白（例如抗体、抗体片段和重组抗体或片段）、多肽（例如整合素配体蛋白的可溶性形式）和小分子，当以有效量给患者时，可抑制脱髓鞘和/或促进再髓鞘化。这里描述的组合物和方法还可以利用其他抗炎药物来缓解与脱髓鞘相关的病症和疾病。
• STEROID SPARING AGENTS AND THEIR USE
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：EP1763361A2

  公开（公告）日：2007-03-21
• US6525026B2
  申请人：——

  公开号：US6525026B2

  公开（公告）日：2003-02-25