L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxycarbonyl)-, (R)- | 170902-52-0

• 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: L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxycarbonyl)-, (R)-
• 英文别名: (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid
• CAS: 170902-52-0
• 化学式: C₂₀H₂₇N₅O₆
• 分子量: 433.5
• InChiKey: SRRJCHGGTPFZSS-ZBFHGGJFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  31
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  176
• 氢给体数：
  5
• 氢受体数：
  8

文献信息

• DETECTION OF PATIENTS AT RISK FOR DEVELOPING INTEGRIN ANTAGONIST/ AGONIST MEDIATED DISEASE STATES
  申请人：——

  公开号：US20020081624A1

  公开（公告）日：2002-06-27

  This invention relates to the detection of patients at risk for developing integrin antagonist/agonist mediated disease states. This invention relates to assays useful for the detection in a patient bodily fluid sample of drug-dependent antibodies which bind to integrins, or intergrin-associated proteins or complexes thereof in the presence of an integrin antagonist/agonist. This invention also relates to assays useful for the detection in a patient bodily fluid sample of drug-dependent antibodies (DDABS) that bind to integrins, including the platelet glycoprotein IIb/IIIa (GPIIb/IIIa), in the presence of a integrin agonist and/or antagonist. This invention also relates to procedures for identifying integrin antagonists/agonists that are less prone to elicit integrin antagonist/agonist mediated disease states. This invention also relates to procedures which increase the recovery of integrin-directed antibodies in body fluids, resulting in an increased sensitivity and specificity of DDAB detection assays. This invention also relates to procedures for treating blood samples, which dissociate antibodies to GPIIb/IIIa from the platelet surface, thereby increasing the recovery from the platelet supernatant. This invention also relates to the use of different GPIIb/IIIa preparations to identify patients at risk for early-onset thrombocytopenia upon treatment with GPIIb/IIIa antagonist/agonists, thereby increasing the specificity of antibody detection. This invention also relates to the use of DDABs as a positive control and calibration standard for DDAB assays. Such methods, procedures and assays are useful for identifying patients who may be at risk to develop disease states mediated by treatment with integrin antagonists/agonists.

  本发明涉及对有可能患整合素拮抗剂/激动剂介导的疾病的患者进行检测。本发明涉及在整合素拮抗剂/激动剂存在的情况下，检测患者体液样本中与整合素或整合素相关蛋白或其复合物结合的药物依赖性抗体的检测方法。本发明还涉及在整合素激动剂和/或拮抗剂存在的情况下，在患者体液样本中检测与整合素（包括血小板糖蛋白 IIb/IIIa (GPIIb/IIIa)）结合的药物依赖性抗体（DDABS）的检测方法。本发明还涉及鉴定不易引起整合素拮抗剂/拮抗剂介导的疾病状态的整合素拮抗剂/拮抗剂的程序。 本发明还涉及提高体液中整合素定向抗体的回收率，从而提高 DDAB 检测试验的灵敏度和特异性的程序。本发明还涉及处理血液样本的程序，该程序可将 GPIIb/IIIa 抗体从血小板表面解离，从而提高血小板上清液的回收率。本发明还涉及使用不同的 GPIIb/IIIa 制剂来鉴定在使用 GPIIb/IIIa 拮抗剂/激动剂治疗时有早发血小板减少风险的患者，从而提高抗体检测的特异性。 本发明还涉及将 DDAB 用作 DDAB 检测的阳性对照和校准标准。 这些方法、程序和检测有助于确定哪些患者可能会因整合素拮抗剂/拮抗剂的治疗而诱发疾病。
• Assays to assess conformational changes of integrins induced by ligand binding based on electrophoretic mobility
  申请人：——

  公开号：US20020081632A1

  公开（公告）日：2002-06-27

  This invention relates to electrophoretic assays useful for the detection of conformational changes in integrin structure upon binding of antagonists, agonists or ligands. Such assays are useful to identify drug candidate compounds that may have a high potential for side reactions when administered in patients.

  本发明涉及用于检测整合素结构在与拮抗剂、激动剂或配体结合时的构象变化的电泳检测方法。这种检测方法可用于鉴别在给患者用药时可能会产生较大副作用的候选药物化合物。
• FACS method for detecton of GPIIb/IIIa inhibitor dependent activators in plasma samples
  申请人：——

  公开号：US20020132276A1

  公开（公告）日：2002-09-19

  This invention relates to assays useful for the detection in a patient bodily fluid sample of drug-dependent substances that bind to integrins, or integrin-associated proteins or complexes thereof in the presence of an integrin antagonist/agonist. This invention also relates to assays useful for the detection in a patient body fluid sample of drug-dependent cell activating substances (DDPASs) whose action on the cells depends on the binding of a integrin antagonist/agonist. This invention also relates to the use of platelet activation markers to detect integrin antagonist/agonist dependent DDPASs.

  本发明涉及在病人体液样本中检测依赖药物的物质的检测方法，这些物质在整合素拮抗剂/激动剂存在的情况下与整合素或整合素相关蛋白或其复合物结合。本发明还涉及在患者体液样本中检测药物依赖性细胞活化物质（DDPASs）的检测方法，这些物质对细胞的作用取决于整合素拮抗剂/激动剂的结合。本发明还涉及使用血小板活化标记物来检测依赖于整合素拮抗剂/激动剂的 DDPASs。
• US6623981B2
  申请人：——

  公开号：US6623981B2

  公开（公告）日：2003-09-23