(3S)-1-butyl-2,5-dioxo-3-cyclohexylmethyl-9-(4-phenyloxyphenylmethyl)-1,4,9-triazaspiro[5.5]undecane | 342914-81-2

• 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: (3S)-1-butyl-2,5-dioxo-3-cyclohexylmethyl-9-(4-phenyloxyphenylmethyl)-1,4,9-triazaspiro[5.5]undecane
• 英文别名: (3S)-1-butyl-3-(cyclohexylmethyl)-9-[(4-phenoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
• CAS: 342914-81-2
• 化学式: C₃₂H₄₃N₃O₃
• 分子量: 517.712
• InChiKey: UBOSWZVKFNAYOS-LJAQVGFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  61.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3S)-1-butyl-2,5-dioxo-3-cyclohexylmethyl-9-(4-phenyloxyphenylmethyl)-1,4,9-triazaspiro[5.5]undecane 在 Oxone 、 碳酸氢钠 作用下， 以 水 、 丙酮 为溶剂， 反应 1.0h， 生成 (3S)-1-butyl-2,5-dioxo-3-cyclohexylmethyl-9-(4-phenyloxyphenylmethyl)-9-oxido-1,4,9-triazaspiro[5.5]undecane
  参考文献：
  名称：

  EP1378509

  摘要：

  公开号：

文献信息

• Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient
  申请人：——

  公开号：US20040106619A1

  公开（公告）日：2004-06-03

  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.). 1 The triazaspiro[5.5]undecane derivatives, the quaternary 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/或治疗由HIV感染引起的艾滋病的药物组合物，其作为活性成分包括三氮杂螺[5.5]十一烷衍生物、其季铵盐、其N-氧化物或其非毒性盐，如有必要，还可以与其他预防和/或治疗HIV感染的药物组合使用（其中所有符号均如规范中定义） 。1三氮杂螺[5.5]十一烷衍生物、其季铵盐或其N-氧化物，或其非毒性盐在预防和/或治疗HIV感染和由该感染引起的艾滋病中有用。
• Spiro-piperidine compounds and medicinal use thereof
  申请人：Nishizawa Rena

  公开号：US20060229301A1

  公开（公告）日：2006-10-12

  The present invention relates to a spiro-piperidine compound represented by formula (I): wherein R 1 represents hydrogen, an aliphatic hydrocarbon group which may have a substituent(s) or a cyclic group which may have a substituent(s); and ring A represents a 5- to 8-membered cyclic group which may have a substituent(s), a salt thereof, an N-oxide thereof, a quaternary ammonium salt thereof or a solvate thereof, or a prodrug thereof. The compounds represented by formula (I) have chemokine antagonistic action, so that they are useful for prevention and/or treatment of various inflammatory diseases, immune diseases such as autoimmune diseases or allergic diseases, or HIV infection.

  本发明涉及一种由式（I）表示的螺环哌啶化合物：其中R1表示氢，可能具有取代基的脂肪烃基或可能具有取代基的环状基团；环A表示可能具有取代基的5-至8-成员环状基团，其盐，N-氧化物，季铵盐或溶剂化物，或其前药。式（I）所表示的化合物具有趋化因子拮抗作用，因此它们对于预防和/或治疗各种炎症性疾病，免疫性疾病如自身免疫性疾病或过敏性疾病，或HIV感染是有用的。
• SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF
  申请人：Nishizawa Rena

  公开号：US20100261641A1

  公开（公告）日：2010-10-14

  The present invention relates to a spiro-piperidine compound represented by formula (I): wherein R 1 represents hydrogen, an aliphatic hydrocarbon group which may have a substituent(s) or a cyclic group which may have a substituent(s); and ring A represents a 5- to 8-membered cyclic group which may have a substituent(s), a salt thereof, an N-oxide thereof, a quaternary ammonium salt thereof or a solvate thereof, or a prodrug thereof. The compounds represented by formula (I) have chemokine antagonistic action, so that they are useful for prevention and/or treatment of various inflammatory diseases, immune diseases such as autoimmune diseases or allergic diseases, or HIV infection.

  本发明涉及一种由式(I)表示的螺环哌啶化合物：其中，R1表示氢、可能具有取代基的脂肪烃基或可能具有取代基的环状基团；环A表示可能具有取代基的5-至8-成员环状基团，其盐、N-氧化物、季铵盐或溶剂化物，或其前药。式(I)所表示的化合物具有趋化因子拮抗作用，因此它们在预防和/或治疗各种炎症性疾病、免疫性疾病，如自身免疫性疾病或过敏性疾病，或HIV感染方面非常有用。
• 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。