1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione
• 英文别名: E 910；1-butyl-3-isobutyl-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione；1-butyl-2,5-dioxo-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane；1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
• 化学式: C₂₈H₄₅N₃O₂
• 分子量: 455.684
• InChiKey: FDWPPSXZXOZKJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (3S)-9-benzyl-1-butyl-3-cyclohexylmethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 1-butyl-3-(2-methylpropyl)-9-(6-phenylhexyl)-1,4,9-triazaspiro[5.5]undeca-2,5-dione
  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 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：——

  公开号：US20040097511A1

  公开（公告）日：2004-05-20

  Triazaspiro[5.5]undecane derivatives, quaternary ammonium salts thereof, N-oxides thereof, non-toxic salts thereof, or pharmaceutical compositions comprising them, as an active ingredient. 1 So the compounds of the formula (I) regulate the effect of chemokine/chemokine receptor, they are used for prevention and treatment of various inflammatory diseases, asthma, atopic dermatitis, urticaria, allergic diseases, nephritis, nephropathy, hepatitis, arthritis or rheumatoid arthritis etc.

  作为活性成分的三氮杂螺[5.5]十一烷衍生物、其季铵盐、其 N-氧化物、其无毒盐或包含它们的药物组合物。 1 因此，式（I）化合物具有调节趋化因子/趋化因子受体的作用，可用于预防和治疗各种炎症性疾病、哮喘、特应性皮炎、荨麻疹、过敏性疾病、肾炎、肾病、肝炎、关节炎或类风湿性关节炎等。
• 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