N-{4-[(8-cyclohexyl-2,8-diazaspiro[4.5]dec-2-yl)methyl]benzyl}-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1-propanamine | 935862-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: N-{4-[(8-cyclohexyl-2,8-diazaspiro[4.5]dec-2-yl)methyl]benzyl}-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1-propanamine
• 英文别名: N-[[4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]phenyl]methyl]-3-(1H-imidazol-2-yl)-2-(1H-imidazol-2-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
• CAS: 935862-07-0
• 化学式: C₃₈H₅₈N₈
• 分子量: 626.932
• InChiKey: QDUYHYLYEGVYJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  46
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  70.3
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF
  申请人：KOKUBO Masaya

  公开号：US20120328627A1

  公开（公告）日：2012-12-27

  The present invention relates to a compound represented by formula (I): wherein all symbols are as defined here, a salt thereof, a solvate thereof, or a prodrug thereof. The compound of the present invention has an antagonistic activity against CXCR4 and is therefore useful as a preventive and/or therapeutic agent for CXCR4-mediated diseases, for example, inflammatory and immune diseases (for example, rheumatoid arthritis, arthritis, retinopathy, pulmonary fibrosis, rejection of transplanted organ, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiovascular disease, metabolic diseases, and cancerous diseases (for example, cancer, cancer metastasis, etc.), or an agent for regeneration therapy.

  本发明涉及一种由公式（I）表示的化合物：其中所有符号如此定义，其盐，溶剂化物或前药。本发明的化合物具有对CXCR4的拮抗活性，因此可用作CXCR4介导疾病的预防和/或治疗剂，例如，炎症和免疫性疾病（例如，类风湿性关节炎，关节炎，视网膜病变，肺纤维化，移植器官排斥等），过敏性疾病，感染（例如，人类免疫缺陷病毒感染，获得性免疫缺陷综合症等），心理神经疾病，脑部疾病，心血管疾病，代谢性疾病和癌症性疾病（例如，癌症，癌症转移等），或再生疗法剂。
• Compound containing basic group and use thereof
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP2657235A1

  公开（公告）日：2013-10-30

  The present invention relates to a compound represented by formula (I): wherein all symbols are as defined here, a salt thereof or a solvate thereof. The compound of the present invention has an antagonistic activity against CXCR4 and is therefore useful as a preventive and/or therapeutic agent for CXCR4-mediated diseases, for example, inflammatory and immune diseases (for example, rheumatoid arthritis, arthritis, retinopathy, pulmonary fibrosis, rejection of transplanted organ, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiovascular disease, metabolic diseases, and cancerous diseases (for example, cancer, cancer metastasis, etc.), or an agent for regeneration therapy.

  本发明涉及一种由式 (I) 代表的化合物： 其中所有符号均如本文所定义，其盐或其溶液。 本发明的化合物对 CXCR4 具有拮抗活性，因此可用作 CXCR4 介导的疾病的预防和/或治疗剂，例如炎症性和免疫性疾病（如类风湿性关节炎、关节炎、视网膜病变、肺纤维化、移植器官的排斥反应等）、过敏性疾病、感染（如哮喘、荨麻疹、荨麻疹、荨麻疹性皮炎、荨麻疹性荨麻疹、荨麻疹性荨麻疹等）。）、过敏性疾病、感染（如人类免疫缺陷病毒感染、获得性免疫缺陷综合征等）、精神神经疾病、脑部疾病、心血管疾病、代谢性疾病和癌症疾病（如癌症、癌症转移等），或再生治疗剂。
• COMPOUND CONTAINING BASIC GROUP AND USE THEREOF
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1942108B1

  公开（公告）日：2013-09-04
• US8318931B2
  申请人：——

  公开号：US8318931B2

  公开（公告）日：2012-11-27
• US8293896B2
  申请人：——

  公开号：US8293896B2

  公开（公告）日：2012-10-23