(3S)-4-[[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]-4-oxobutanoic acid

• 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: (3S)-4-[[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]-4-oxobutanoic acid
• 化学式: C₃₂H₄₁N₅O₇
• 分子量: 607.7
• InChiKey: OMRJFRYYBVBBDQ-ASDGIDEWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  44
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  188
• 氢给体数：
  5
• 氢受体数：
  7

文献信息

• [EN] IMPROVED AZA-BRIDGED-BICYCLIC AMINO ACID DERIVATIVES AS A4 INTEGRIN ANTAGONISTS<br/>[FR] DERIVES D'ACIDES AMINES AZA-BICYCLIQUES A PONTAGE AMELIORES TENANT LIEU D'ANTAGONISTES DE L'INTEGRINE DOLLAR G(A)4
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005042529A1

  公开（公告）日：2005-05-12

  The invention is directed to aza-bridged-bicyclic compounds having Formula (I): and pharmaceutically acceptable salts thereof. The compounds are useful α4 integrin receptor antagonists and, in particular, α4β1 and α4β7 integrin receptor antagonists. The invention is further directed to methods for use of the instant compounds for treating integrin mediated disorders including, but not limited to, inflammatory disorders, autoimmune disorders and cell-proliferative disorders, methods for preparing the compounds and methods for preparing the intermediates, derivatives and pharmaceutical compositions thereof.

  本发明涉及具有化学式（I）的氮杂桥环双环化合物及其药学上可接受的盐。这些化合物是有用的α4整合素受体拮抗剂，特别是α4β1和α4β7整合素受体拮抗剂。本发明进一步涉及使用本发明化合物治疗整合素介导的疾病的方法，包括但不限于炎症性疾病、自身免疫性疾病和细胞增殖性疾病的方法，制备这些化合物的方法以及制备其中间体、衍生物和药物组合物的方法。
• [EN] CELL ADHESION INHIBITORS<br/>[FR] COMPOSES INHIBITEURS D'ADHERENCE CELLULAIRE
  申请人：BIOGEN, INC.

  公开号：WO1997003094A1

  公开（公告）日：1997-01-30

  (EN) The present invention relates to novel compounds that are useful for inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention also relates to pharmaceutical formulations comprising these compounds and methods of using them for inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. The compounds and pharmaceutical composition of this inveniton can be used as therapeutic or prophylactic agents. They are particularly well-suited for treatment of many inflammatory and autoimmune diseases.(FR) La présente invention concerne des composés nouveaux servant à inhiber et empêcher l'adhérence cellulaire et les pathologies à médiation par adhérence cellulaire. Elle concerne également des formulations pharmaceutiques renfermant ces composés et leur procédés d'utilisation en vue d'empêcher ou de prévenir l'adhérence cellulaire et les pathologies à médiation par adhérence cellulaire. Les composés et les compositions pharmaceutiques qui font l'objet de la présente invention peuvent être utilisés en tant qu'agents thérapeutiques ou prophylactiques. Ils sont particulièrement appropriés pour le traitement de nombreuses maladies inflammatoires et auto-immunes.

  该发明涉及新型化合物，可用于抑制和预防细胞黏附和细胞黏附介导的病理过程。该发明还涉及包含这些化合物的制药配方以及使用它们抑制和预防细胞黏附和细胞黏附介导的病理过程的方法。本发明的化合物和制药组合物可用作治疗或预防剂。它们特别适用于治疗许多炎症和自身免疫性疾病。
• Bicyclic triazole alpha4 integrin inhibitors
  申请人：Lawson Edward

  公开号：US20060128748A1

  公开（公告）日：2006-06-15

  The compounds of the present invention are novel bicyclic triazole amino acid-derivatives useful as α4 integrin receptor antagonists. The invention is further directed to methods for treating integrin mediated disorders including, but not limited to, inflammatory, autoimmune and cell-proliferative disorders, methods for preparing the compounds and methods for preparing the intermediates, derivatives and pharmaceutical compositions thereof.

  本发明的化合物是一种新型的双环三唑氨基酸衍生物，可用作α4整合素受体拮抗剂。本发明还涉及治疗整合素介导的疾病的方法，包括但不限于炎症、自身免疫和细胞增殖性疾病的方法，制备该化合物的方法以及制备其中间体、衍生物和制药组合物的方法。
• Methods of treatment using stem cell mobilizers
  申请人：THE JOHNS HOPKINS UNIVERSITY

  公开号：US10086045B2

  公开（公告）日：2018-10-02

  The present invention relates to the field of stem cells. In one aspect, the present invention provides methods of treating a subject with acute liver injury comprising administering to the subject a therapeutically effective amount of at least one stem cell mobilizer. In particular embodiments, the subject is treated with plerixafor and granulocyte colony-stimulating factor (G-CSF).

  本发明涉及干细胞领域。在一个方面，本发明提供了治疗急性肝损伤受试者的方法，包括向受试者施用治疗有效量的至少一种干细胞动员剂。在特定的实施方案中，用普乐沙福和粒细胞集落刺激因子（G-CSF）治疗受试者。
• Methods of treating inflammatory bowel disease with AMD3100 and tacrolimus
  申请人：MedRegen, LLC

  公开号：US10420751B2

  公开（公告）日：2019-09-24

  The present invention relates to the field of inflammatory bowel disease. In one aspect, the present invention provides methods for treating inflammatory bowel disease in a patient comprising administering to the patient a therapeutically effective amount of a stem cell mobilizer and an immunosuppressive agent. In particular embodiments, the present invention provides a method for treating inflammatory bowel disease in a patient comprising administering to the patient a therapeutically effective amount of an agent that mobilizes CD34+ and/or CD133+ stem cells and a low dose of an immunosuppressive agent.

  本发明涉及炎症性肠病领域。在一个方面，本发明提供了治疗患者炎症性肠病的方法，包括向患者施用治疗有效量的干细胞动员剂和免疫抑制剂。在特定的实施方案中，本发明提供了一种治疗患者炎症性肠病的方法，包括给患者施用治疗有效量的动员CD34+和/或CD133+干细胞的制剂和低剂量的免疫抑制剂。