依比拉肽 | 105250-86-0

• 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
• 中文名称: 依比拉肽
• 英文名称: Ebiratide
• 英文别名: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2R)-6-amino-1-[[(2S)-1-(8-aminooctylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfonylbutanoyl]amino]-5-oxopentanoic acid
• CAS: 105250-86-0
• 化学式: C₄₈H₇₃N₁₁O₁₀S
• 分子量: 996.2
• InChiKey: CLFHFIGNDKHDPG-MPJXNKHJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  70
• 可旋转键数：
  35
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  361
• 氢给体数：
  11
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  (4-{8-[(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-phenyl-propionylamino]-octylcarbamoyloxymethyl}-phenoxy)-acetic acid 、 tert-butyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate 、 Fmoc-Phe-O-t-Bu 、 tert-butyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoate 、 N-Fmoc-Glu(O-t-Bu)-O-t-Bu 、 (S)-2-tert-Butoxycarbonylamino-4-methanesulfonyl-butyric acid tert-butyl ester 生成 依比拉肽
  参考文献：
  名称：

  BREIPOHL, G.;KNOLLE, J.;GEIGER, R., TETRAHEDRON LETT., 28,(1987) N 46, 5647-5650

  摘要：

  DOI：

文献信息

• Pharmaceutical compositions of drug-oligomer conjugates and methods of treating diseases therewith
  申请人：——

  公开号：US20030069170A1

  公开（公告）日：2003-04-10

  Pharmaceutical compositions that include a drug-oligomer conjugate, a fatty acid component, and a bile salt component are described. The drug is covalently coupled to an oligomeric moiety. The fatty acid component and the bile salt component are present in a weight-to-weight ratio of between 1:5 and 5:1. Methods of treating diseases in a subject in need of such treatment using such pharmaceutical compositions are also provided, as are methods of providing such pharmaceutical compositions.

  描述了包括药物-寡聚物共轭物、脂肪酸成分和胆盐成分的药物组合物。药物以共价键连接到寡聚物基团上。脂肪酸成分和胆盐成分以1:5至5:1的重量比存在。还提供了利用这种药物组合物治疗需要此类治疗的受试者的方法，以及提供这种药物组合物的方法。
• [EN] THIOSEMICARBAZATES AND USES THEREOF<br/>[FR] THIOSEMICARBAZATES ET LEURS UTILISATIONS
  申请人：FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH

  公开号：WO2020227592A1

  公开（公告）日：2020-11-12

  Thioesters, thiocarbamates, thiocarbazates, semithiocarbazates, peptides, aza-amino acid conjugates, and azapeptides; and a chemoselective and site-specific functionalization protocol of protected thiocarbazates and semithiocarbazates are described. The protocol features the use of Mitsunobu reaction to alkylate specifically the nitrogen atom close to the acylthiol moiety with alcohols to produce protected mono-substituted thiocarbazates that can be stored for months, activated under mild conditions at low temperature using halonium reagents and integrated orthogonally to make substituted semicarbazides that can be used, e.g., as synthons in synthesis of aza-amino acid conjugates, azapeptides and other peptidomimetics. Methods for preparing and using ureases, carbazides, semicarbazides, beta-peptides, azapeptides, and other peptidomimetics and azapeptide conjugates, and uses of ureases, carbazides, semicarbazides, beta-peptides, azapeptides in drug discovery, diagnosis, inhibition, prevention and treatment of diseases are also described.

  巯酯，硫代氨基甲酸酯，硫代氨基甲酸酯，半硫代氨基甲酸酯，肽，氮代氨基酸共轭物和氮代肽；以及一种对受保护的硫代氨基甲酸酯和半硫代氨基甲酸酯进行化学选择性和位点特异性功能化的方法被描述。该方法采用三甲基脲反应特异性烷基化靠近酰硫醇基团的氮原子，使用醇生成可储存数月的受保护的单取代硫代氨基甲酸酯，在低温下使用卤化物试剂轻微条件下激活，并与其他基团正交集成以制备取代半氨基甲酸酰胺，例如，可用作氮代氨基酸共轭物，氮代肽和其他肽类模拟物的合成中间体。还描述了制备和使用尿酶，卡巴酰胺，半氨基甲酸酰胺，β-肽，氮代肽和其他肽类模拟物以及氮代肽共轭物的方法，以及尿酶，卡巴酰胺，半氨基甲酸酰胺，β-肽，氮代肽在药物发现，诊断，抑制，预防和治疗疾病中的用途。
• Mixtures of drug-oligomer conjugates comprising polyalkylene glycol, uses thereof, and methods of making same
  申请人：——

  公开号：US20030228275A1

  公开（公告）日：2003-12-11

  A non-polydispersed mixture of conjugates in which each conjugate in the mixture comprises a drug coupled to an oligomer that includes a polyalkylene glycol moiety is disclosed. The mixture may exhibit higher in vivo activity than a polydispersed mixture of similar conjugates. The mixture may be more effective at surviving an in vitro model of intestinal digestion than polydispersed mixtures of similar conjugates. The mixture may result in less inter-subject variability than polydispersed mixtures of similar conjugates.

  披露了一种非多分散混合物，其中混合物中的每个共轭物包括与包含聚乙二醇基团的寡聚物偶联的药物。该混合物可能表现出比类似共轭物的多分散混合物更高的体内活性。该混合物可能比类似共轭物的多分散混合物更有效地在体外模拟肠道消化模型中存活。该混合物可能导致比类似共轭物的多分散混合物更少的受试者间变异性。
• [EN] PRODRUG COMPOSITIONS AND METHODS OF TREATMENT<br/>[FR] COMPOSITIONS DE PROMÉDICAMENT ET PROCÉDÉS DE TRAITEMENT
  申请人：AQUESTIVE THERAPEUTICS INC

  公开号：WO2021087359A1

  公开（公告）日：2021-05-06

  Pharmaceutical compositions include a prodrug of epinephrine are described.

  药物组合物包括表述的肾上腺素前药。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。