4-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethynylcyclohexan-1-one | 153587-32-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethynylcyclohexan-1-one
• CAS: 153587-32-7
• 化学式: C₂₀H₂₄O₃
• 分子量: 312.409
• InChiKey: HUUANGGGQAYPDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethynylcyclohexan-1-one 在 硼烷四氢呋喃络合物 作用下， 以80%的产率得到trans-4-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethynyl -cyclohexan-1-ol
  参考文献：
  名称：

  Synthesis of SB 222618. A potential PDE IV inhibitor

  摘要：

  PDE IV inhibitor SE 222618 was prepared by regioselective S(N)2' addition of 9 to bromoallene 6a followed by a stereoselective borane reduction of 4 to afford 2 which by a palladium mediated coupling with 3, delivered SE 222618 (1) in good yield. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02198-x
• 作为产物：
  描述：

  4-溴-2-(环戊基氧基)苯甲醚 在 水 、 magnesium 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethynylcyclohexan-1-one
  参考文献：
  名称：

  Synthesis of SB 222618. A potential PDE IV inhibitor

  摘要：

  PDE IV inhibitor SE 222618 was prepared by regioselective S(N)2' addition of 9 to bromoallene 6a followed by a stereoselective borane reduction of 4 to afford 2 which by a palladium mediated coupling with 3, delivered SE 222618 (1) in good yield. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02198-x

文献信息

• 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds
  申请人：SmithKline Beecham Corporation

  公开号：US05861421A1

  公开（公告）日：1999-01-19

  This invention relates to derivatives of 4,4-(disubstituted)cyclohexan-1-ones and related compounds which are useful for treating allergic and inflammatory diseases.

  这项发明涉及4,4-(二取代)环己烷-1-酮及相关化合物的衍生物，这些化合物对治疗过敏和炎症性疾病有用。
• Compounds useful for treating allergic or inflammatory diseases
  申请人：SmithKline Beecham Corporation

  公开号：US05449686A1

  公开（公告）日：1995-09-12

  Novel cyclohexanes of Formulas (I) and (II) ##STR1## are described herein. They inhibit the production of Tumor Necrosis Factor and are useful in the treatment of disease states mediated or exacerbated by TNF production; these compounds are also useful in the mediation or inhibition of enzymatic or catalytic activity of phosphodiesterase V.

  本文描述了化学式（I）和（II）的新型环己烷化合物。它们抑制肿瘤坏死因子的产生，并可用于治疗由TNF产生介导或加重的疾病状态；这些化合物还可用于介导或抑制磷酸二酯酶V的酶活性。
• 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds
  申请人：SmithKline Beecham Corporation

  公开号：US05977122A1

  公开（公告）日：1999-11-02

  The present invention relates to novel 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds, pharmaceutical compositions containing these compounds, and their use in treating allergic and inflammatory diseases and for inhibiting the production to Tumor necrosis Factor (TNF).

  本发明涉及新颖的4,4-(二取代)环己烷-1-醇单体及相关化合物，含有这些化合物的药物组合物，以及它们在治疗过敏和炎症性疾病以及抑制肿瘤坏死因子（TNF）产生方面的用途。
• [EN] 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS<br/>[FR] MONOMERES DE 4,4-(DISUBSTITUE)CYCLOHEXAN-1-OLES ET COMPOSES APPARENTES
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：WO1996019988A1

  公开（公告）日：1996-07-04

  (EN) The present invention relates to novel 4,4-(disubstituted)cyclohexan-1-ols monomers and related compounds, pharmaceutical compositions containing these compounds, and their use in treating allergic and inflammatory diseases and for inhibiting the production of Tumor Necrosis Factor (TNF).(FR) La présente invention concerne de nouveaux monomères de 4,4-(disubstitué)cyclohexan-1-oles et leurs composés apparentés, ainsi que les compositions pharmaceutiques contenant ces composés. Cette invention concerne également leur utilisation dans le traitement d'allergies et de maladies inflammatoires, ainsi que pour inhiber la production de facteur de nécrose tumorale (TNF).

  本发明涉及新型4,4-(二取代)环己烷-1-醇单体和相关化合物、含有这些化合物的药物组合物以及它们在治疗过敏和炎症性疾病以及抑制肿瘤坏死因子（TNF）的产生方面的应用。
• 4,4-(disubstituted)cyclohexan-1-ol dimers and related compounds
  申请人：SmithKline Beecham Corporation

  公开号：US05777176A1

  公开（公告）日：1998-07-07

  The present invention relates to novel dimers of 4.4-(disubstituted)cyclohexan-1-ol dimers and delated compounds, pharmaceutical compositions containing these compounds, and their use in treating allergic and inflammatory diseases and for inhibiting the production of Tumor Necrosis Factor (TNF).

  本发明涉及4,4-(二取代)环己烷-1-醇二聚体及其衍生物的新型二聚体，含有这些化合物的制药组合物，以及它们在治疗过敏性和炎症性疾病以及抑制肿瘤坏死因子（TNF）的产生方面的用途。