E 916

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: E 916
• 英文别名: 1-butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1H-imidazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione；1-butyl-3-cyclohexylmethyl-2,5-dioxo-9-(2-phenylimidazol-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecane；11-butyl-9-(cyclohexylmethyl)-3-[(2-phenyl-1H-imidazol-5-yl)methyl]-3,8,11-triazaspiro[5.5]undecane-7,10-dione；1-butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1H-imidazol-5-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
• 化学式: C₂₉H₄₁N₅O₂
• 分子量: 491.677
• InChiKey: ODQZDIKXBXEYOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  81.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  E 916 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 生成 1-butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1H-imidazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione dihydrochloride
  参考文献：
  名称：

  Discovery of orally available spirodiketopiperazine-based CCR5 antagonists

  摘要：

  Using the previously reported novel spirodiketopiperazine scaffold, the design and synthesis of orally available CCR5 antagonists was undertaken. Compounds possessing a carboxylic acid function in the appropriate position showed improved oral exposure (AUC) relative to the initial chemical leads without reduction in the antagonist activity. The optimized compound 40 was found to show potent anti-HIV activity. Full details of structure-activity relationship (SAR) study are presented. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.05.057

文献信息

• DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1378509A1

  公开（公告）日：2004-01-07

  A pharmaceutical composition for prevention and/or treatment for HIV infection or AIDS induced by the infection which comprises, as an active ingredient, a triazaspiro[5.5]undecane derivative, a quaternary ammonium salt thereof, an N-oxide thereof, or a non-toxic salt thereof, and if necessary, it may be combined with at least one member of other agents for prevention and/or treatment for HIV infection (wherein all symbols are as defined in the specification.). The triazaspiro[5.5]undecane derivatives, the quatemary ammonium salts thereof or the N-oxides thereof, or the non-toxic salts thereof are useful in preventing and/or treating HIV infection and AIDS induced by the infection.

  一种用于预防和/或治疗HIV感染或由该感染诱发的艾滋病的药物组合物，作为活性成分，它包括一种三氮杂螺[5.5]十一烷衍生物、其季铵盐、其N-氧化物或其无毒盐，必要时，它可与至少一种用于预防和/或治疗HIV感染的其他制剂成员结合使用（其中所有符号如说明书中所定义。） 三氮杂螺[5.5]十一烷衍生物、其藜芦铵盐或其N-氧化物或其无毒盐可用于预防和/或治疗HIV感染和由感染诱发的艾滋病。
• DRUGS COMPRISING COMBINATION OF TRIAZASPIRO 5,5 U NDECANE DERIVATIVE WITH CYTOCHROME P450 ISOZYME 3A4 INHIBITOR AND/OR P−GLYCOPROTEIN INHIBITOR
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1438962A1

  公开（公告）日：2004-07-21

  A pharmaceutical composition which comprises a combination of a triazaspiro[5.5]undecane derivative of the formula (I): (wherein all the symbols have the same meanings as defined hereinafter), a quaternary ammonium salt thereof, or an N-oxide thereof, or a non-toxic salt thereof with at least one cytochrome P450 isozyme 3A4 inhibitor and/or at least one P-glycoprotein inhibitor. As a result the pharmaceutical composition comprising the above-described combination, bioavailability of the compound of the formula (I) is enhanced and is able to be effectively utilized as an oral agent in the treatment of various diseases.

  一种药物组合物，它由式（I）的三氮杂螺[5.5]十一烷衍生物、其季铵盐、或其 N-氧化物、或其无毒盐与至少一种抗氧化剂结合而成： (其中所有符号的含义与下文所定义的相同）、其季铵盐或其 N-氧化物或其无毒盐与至少一种细胞色素 P450 同工酶 3A4 抑制剂和/或至少一种 P 糖蛋白抑制剂的组合。因此，由上述组合物组成的药物组合物可提高式（I）化合物的生物利用度，并能有效地用作治疗各种疾病的口服药物。
• TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1236726B1

  公开（公告）日：2004-12-01
• US7119091B2
  申请人：——

  公开号：US7119091B2

  公开（公告）日：2006-10-10
• US7285552B2
  申请人：——

  公开号：US7285552B2

  公开（公告）日：2007-10-23