(2,4-Dibutoxy-5-prop-1-en-2-ylphenyl)-[5-(4-hydroxypiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone

• 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: (2,4-Dibutoxy-5-prop-1-en-2-ylphenyl)-[5-(4-hydroxypiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone
• 英文别名: (2,4-dibutoxy-5-prop-1-en-2-ylphenyl)-[5-(4-hydroxypiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone
• 化学式: C₃₁H₄₂N₂O₄
• 分子量: 506.7
• InChiKey: CFYAKDXGBGYVDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  71
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• PHARMACEUTICAL COMPOUNDS
  申请人：Lyons John Francis

  公开号：US20090298818A1

  公开（公告）日：2009-12-03

  The invention provides the use of a compound for the manufacture of a medicament for the treatment of pain, wherein the compound is a compound of the formula (VI): or a salt, solvate, tautomer or N-oxide thereof; wherein the bicyclic group: is selected from the structures C1, C5 and C6: wherein n, R 1 , R 2a , R 3 , R 4a , R 8 and R 10 are as defined in the claims. The invention also provides the use of a compound of the formula (VI) for the manufacture of a medicament for the prophylaxis or treatment of a fungal, protozoal, viral or parasitic disease state or condition (other than a disease state or condition due to Plasmodium falciparum ) or for use in the prophylaxis or treatment of Ewing's sarcoma, atherosclerosis or lupus erythematosus.

  本发明提供了一种化合物的使用，用于制造治疗疼痛的药物，其中该化合物是公式（VI）的化合物：或其盐、溶剂化物、互变异构体或N-氧化物；其中，双环基团：选自结构C1、C5和C6：其中n、R1、R2a、R3、R4a、R8和R10如权利要求所定义。本发明还提供了使用公式（VI）的化合物制造药物，用于预防或治疗真菌、原虫、病毒或寄生虫病态或病况（除Plasmodium falciparum引起的病态或病况外）或用于预防或治疗尤因肉瘤、动脉粥样硬化或红斑狼疮。
• PHARMACEUTICAL COMBINATIONS
  申请人：Gallagher Neil James

  公开号：US20110105501A1

  公开（公告）日：2011-05-05

  The invention provides combinations comprising (or consisting essentially of) one or more ancillary compound(s) and a compound of the formula (I): or salts, tautomers, solvates and N-oxides thereof; wherein R 1 is hydroxy or hydrogen; R 2 is hydroxy; methoxy or hydrogen; provided that at least one of R 1 and R 2 is hydroxy; R 3 is selected from hydrogen; halogen; cyano; optionally substituted C 1-5 hydrocarbyl and optionally substituted C 1-5 hydrocarbyloxy; R 4 is selected from hydrogen; a group —(O) n —R 7 where n is 0 or 1 and R 7 is an optionally substituted acyclic C 1-5 hydrocarbyl group or a monocyclic carbocyclic or heterocyclic group having 3 to 7 ring members; halogen; cyano; hydroxy; amino; and optionally substituted mono- or di-C 1-5 hydrocarbyl-amino; or R 3 and R 4 together form a monocyclic carbocyclic or heterocyclic ring of 5 to 7 ring members; and NR 5 R 6 forms an optionally substituted bicyclic heterocyclic group having 8 to 12 ring members of which up to 5 ring members are heteroatoms selected from oxygen, nitrogen and sulphur. The combinations have activity as Hsp90 and/or glycogen synthase kinase-3 and/or cyclin dependent kinase and/or aurora kinase inhibitors.

  本发明提供了组合物，其包括（或本质上仅包括）一种或多种辅助化合物和式（I）的化合物：或其盐，互变异构体，溶剂化合物和N-氧化物；其中R1为羟基或氢；R2为羟基、甲氧基或氢；但R1和R2中至少有一个为羟基；R3选择自氢、卤素、氰基、可选取代的C1-5烃基和可选取代的C1-5烃氧基；R4选择自氢、一个—（O）n—R7基团，其中n为0或1，R7为可选取代的非环C1-5烃基团或具有3至7个环成员的单环碳环或杂环基团；卤素、氰基、羟基、氨基和可选取代的单基或双基C1-5烃基氨基；或R3和R4共同形成5至7个环成员的单环碳环或杂环环；以及NR5R6形成一个可选取代的具有8至12个环成员的双环杂环基团，其中最多5个环成员为氧、氮和硫的杂原子。这些组合物具有作为Hsp90和/或糖原合成酶激酶-3和/或细胞周期蛋白依赖性激酶和/或极化子激酶抑制剂的活性。
• Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90
  申请人：Astex Therapeutics Limited

  公开号：US20150045362A1

  公开（公告）日：2015-02-12

  The invention provides compounds of the formula (I): or salts, tautomers, solvates and N-oxides thereof; wherein R 1 is hydroxy or hydrogen; R 2 is hydroxy; methoxy or hydrogen; provided that at least one of R 1 and R 2 is hydroxy; R 3 is selected from hydrogen; halogen; cyano; optionally substituted C 1-5 hydrocarbyl and optionally substituted C 1-5 hydrocarbyloxy; R 4 is selected from hydrogen; a group —(O) n —R 7 where n is 0 or 1 and R 7 is an optionally substituted acyclic C 1-5 hydrocarbyl group or a monocyclic carbocyclic or heterocyclic group having 3 to 7 ring members; halogen; cyano; hydroxy; amino; and optionally substituted mono- or di-C 1-5 hydrocarbyl-amino; or R 3 and R 4 together form a monocyclic carbocyclic or heterocyclic ring of 5 to 7 ring members; and NR 5 R 6 forms an optionally substituted bicyclic heterocyclic group having 8 to 12 ring members of which up to 5 ring members are heteroatoms selected from oxygen, nitrogen and sulphur. The compounds have activity as Hsp90 inhibitors.

  该发明提供了以下式子（I）的化合物或其盐、互变异构体、溶剂合物和N-氧化物；其中R1是羟基或氢原子；R2是羟基、甲氧基或氢原子；但至少有一个R1和R2是羟基；R3选自氢原子、卤素、氰基、可选取代的C1-5烃基和可选取代的C1-5烃氧基；R4选自氢原子、—（O）n—R7基团，其中n为0或1且R7为可选取代的非环C1-5烃基团或具有3至7个环成员的单环碳环或杂环基团；卤素、氰基、羟基、氨基和可选取代的单或双C1-5烃基氨基；或R3和R4共同形成5至7个环成员的单环碳环或杂环环；以及NR5R6形成具有8至12个环成员的可选取代的双环杂环基团，其中最多5个环成员为选自氧、氮和硫的杂原子。这些化合物具有作为Hsp90抑制剂的活性。
• US8779132B2
  申请人：——

  公开号：US8779132B2

  公开（公告）日：2014-07-15
• US8816087B2
  申请人：——

  公开号：US8816087B2

  公开（公告）日：2014-08-26