4-[[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenyl]methyl]-3-methoxybenzoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-[[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenyl]methyl]-3-methoxybenzoic acid
• 化学式: C₃₅H₄₇N₃O₆
• 分子量: 605.8
• InChiKey: PAONPWGJZBUHIF-FIRIVFDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Triazaspiro[5.5]undecane derivatives and drugs comprising the same as the active ingredient
  申请人：Takaoka Yoshikazu

  公开号：US20050267114A1

  公开（公告）日：2005-12-01

  Compounds represented by formula (I) (wherein all of the symbols have the same meanings as defined in specification.), quaternary ammonium salts thereof, N-oxides thereof or salts thereof. The compounds represented by formula (I) are used for prevention and/or treatment of various inflammatory diseases (asthma, nephritis, nephropathy, hepatitis, arthritis, chronic rheumatoid arthritis, rhinitis, conjunctivitis, ulcerative colitis and the like), immunologic diseases (autoimmune diseases, transplant rejection, immunosuppression, psoriasis, multiple sclerosis and the like), human immunodeficiency virus (acquired immunodeficiency syndrome and the like), allergic diseases (atopic dermatitis, nettle rash, allergic bronchopulmonary aspergillosis, allergic eosinophilic gastroenteritis and the like), ischemia-reperfusion injury, acute respiratory distress syndrome, shock accompanied by bacterial infection, diabetes mellitus, or metastasis and the like.

  化合物的化学式为(I)（其中所有符号的含义与规范中定义的相同），以及其季铵盐、N-氧化物或盐。式(I)所代表的化合物用于预防和/或治疗各种炎症性疾病（哮喘、肾炎、肾病、肝炎、关节炎、慢性类风湿性关节炎、鼻炎、结膜炎、溃疡性结肠炎等）、免疫性疾病（自身免疫疾病、移植排斥、免疫抑制、银屑病、多发性硬化症等）、人类免疫缺陷病毒（获得性免疫缺陷综合症等）、过敏性疾病（特应性皮炎、荨麻疹、过敏性支气管肺曲霉病、过敏性嗜酸性胃肠炎等）、缺血再灌注损伤、急性呼吸窘迫综合症、伴有细菌感染的休克、糖尿病或转移等。
• TRIAZASPIRO 5.5 UNDECANE DERIVATIVES AND DRUGS COMPRISI NG THE SAME AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1541574A1

  公开（公告）日：2005-06-15

  Compounds represented by formula (I) (wherein all of the symbols have the same meanings as defined in specification.), quaternary ammonium salts thereof, N-oxides thereof or salts thereof. The compounds represented by formula (I) are used for prevention and/or treatment of various inflammatory diseases (asthma, nephritis, nephropathy, hepatitis, arthritis, chronic rheumatoid arthritis, rhinitis, conjunctivitis, ulcerative colitis and the like), immunologic diseases (autoimmune diseases, transplant rejection, immunosuppression, psoriasis, multiple sclerosis and the like), human immunodeficiency virus (acquired immunodeficiency syndrome and the like), allergic diseases (atopic dermatitis, nettle rash, allergic bronchopulmonary aspergillosis, allergic eosinophilic gastroenteritis and the like), ischemia-reperfusion injury, acute respiratory distress syndrome, shock accompanied by bacterial infection, diabetes mellitus, or metastasis and the like.

  式 (I) 所代表的化合物（其中所有符号的含义与说明书中的定义相同。 (其中所有符号的含义与说明书中定义的相同）、其季铵盐、其 N-氧化物或其盐。式 (I) 所代表的化合物可用于预防和/或治疗各种炎症性疾病（哮喘、肾炎、肾病、肝炎、关节炎、慢性类风湿性关节炎、鼻炎、结膜炎、溃疡性结肠炎等）、免疫性疾病（自身免疫性疾病、移植排斥、免疫抑制、牛皮癣、多发性硬化等）、人类免疫缺陷病毒（获得性免疫缺陷综合征等）、过敏性疾病（特应性皮炎、荨麻疹、过敏性支气管肺曲霉病、过敏性嗜酸性粒细胞性胃肠炎等）、缺血再灌注损伤、急性呼吸窘迫综合征、细菌感染引起的休克、糖尿病或转移等。
• EP1623721A1
  申请人：——

  公开号：EP1623721A1

  公开（公告）日：2006-02-08
• Function Inhibitor of Effector Cell
  申请人：Shibayama Shiro

  公开号：US20070270429A1

  公开（公告）日：2007-11-22

  The present invention relates to a function inhibitor of an effector cell comprising a CCR5 antagonist. Since the function inhibitor of an effector cell comprising a CCR5 antagonist inhibits the function of effector cells which play an important role in formation of diseases and the like, it is effective for the prevention and/or treatment of, for example, a transplant rejection (e.g., rejection of a solid organ graft, rejection of islet cell transplantation in diabetes mellitus, graft-versus-host disease (GVHD), etc.), an autoimmune disease (e.g., arthritis, rheumatoid arthritis, multiple sclerosis, ulcerative colitis, etc.), an allergic disease (e.g., asthma, etc.), an ischemic disease (e.g., ischemia-reperfusion injury, etc.), cancer or a metastatic disease or the like.
• METHODS OF INHIBITING CEREBRAL INFLAMMATION
  申请人：UNIVERSITÉ DE GENÈVE

  公开号：US20210205412A1

  公开（公告）日：2021-07-08

  The present invention provides methods of inhibiting cerebral inflammation comprising administering a CCR5 inhibitor to a subject.