5-(benzofuran-5-yl)-3-(2-{(S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenyl]-3-methylpiperazin-1-yl}-2-oxoethyl)-5-methylimidazolidine-2,4-dione | 1254043-17-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 5-(benzofuran-5-yl)-3-(2-{(S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenyl]-3-methylpiperazin-1-yl}-2-oxoethyl)-5-methylimidazolidine-2,4-dione
• 英文别名: 5-(1-benzofuran-5-yl)-3-[2-[(3S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenyl]-3-methylpiperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
• CAS: 1254043-17-8
• 化学式: C₃₁H₃₂F₆N₄O₅
• 分子量: 654.609
• InChiKey: IJEZOWUZDBGXIA-BVFFRPSBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  12

文献信息

• CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER
  申请人：Koura Minoru

  公开号：US20100280013A1

  公开（公告）日：2010-11-04

  [Object] It is to provide a novel LXRβ agonist useful as a preventative and/or therapeutic agent for atherosclerosis; arteriosclerosis such as those resulting from diabetes; dyslipidemia; hypercholesterolemia; lipid-related diseases; inflammatory diseases that are caused by inflammatory cytokines; skin diseases such as allergic skin diseases; diabetes; or Alzheimer's disease. [Solving Means] A carbinol compound represented by the following general formula (I) or salt thereof, or their solvate: (wherein, each V and W independently show N or C—R 7 ; each X and Y independently show CH 2 , C═O, SO 2 , etc; Z shows CH or N; each R 1 , R 2 and R 7 independently show a hydrogen atom, C 1-8 alkyl group, etc.; R 3 shows C 1-8 alkyl group; R 4 shows an optionally substituted C 6-10 aryl group or an optionally substituted 5- to 11-membered heterocyclic group; R 5 and R 6 show a hydrogen atom, etc.; L shows a C 1-8 alkyl chain optionally substituted with an oxo group, etc.; and n shows any integer of 0 to 2.)

  它是提供一种新型的LXRβ激动剂，可用作预防和/或治疗动脉粥样硬化；动脉硬化，如由糖尿病引起的动脉硬化；血脂异常；高胆固醇血症；与脂质相关的疾病；由炎性细胞因子引起的炎症性疾病；过敏性皮肤病；糖尿病；或阿尔茨海默病的预防和/或治疗剂。【解决手段】由以下一般式（I）表示的羟甲基化合物或其盐，或它们的溶剂化合物： （其中，每个V和W独立地表示N或C—R 7 ；每个X和Y独立地表示CH 2 ，C═O，SO 2 等；Z表示CH或N；每个R 1 ，R 2 和R 7 独立地表示氢原子，C 1-8 烷基基团等；R 3 表示C 1-8 烷基基团；R 4 表示可选择地取代的C 6-10 芳基基团或可选择地取代的5-至11-成员杂环基团；R 5 和R 6 表示氢原子等；L表示可选择地取代有氧基团等的C 1-8 烷基链；n表示0至2的任意整数。】
• CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER
  申请人：Kowa Company, Ltd.

  公开号：EP2426113A1

  公开（公告）日：2012-03-07

  It is to provide a novel LXRβ agonist useful as a preventative and/or therapeutic agent for atherosclerosis; arteriosclerosis such as those resulting from diabetes; dyslipidemia; hypercholesterolemia; lipid-related diseases; inflammatory diseases that are caused by inflammatory cytokines; skin diseases such as allergic skin diseases; diabetes; or Alzheimer's disease. It is a carbinol compound represented by the following general formula (I) or salt thereof, or their solvate: (wherein, each V and W independently show N or C-R7; each X and Y independently show CH2, C=O, SO2, etc.; Z shows CH or N; each R1, R2 and R7 independently show a hydrogen atom, C1-8 alkyl group, etc.; R3 shows C1-8 alkyl group; R4 shows an optionally substituted C6-10 aryl group or an optionally substituted 5- to 11-membered heterocyclic group; R5 and R6 show a hydrogen atom, etc.; L shows a C1-8 alkyl chain optionally substituted with an oxo group, etc.; and n shows any integer of 0 to 2.)

  提供一种新型 LXRβ 激动剂，可作为动脉粥样硬化、动脉硬化（如糖尿病引起的动脉硬化）、血脂异常、高胆固醇血症、血脂相关疾病、由炎症细胞因子引起的炎症性疾病、皮肤病（如过敏性皮肤病）、糖尿病或阿尔茨海默病的预防和/或治疗药物。它是由以下通式(I)或其盐或它们的溶解物所代表的醇化合物： (其中，V 和 W 各自独立地表示 N 或 C-R7；X 和 Y 各自独立地表示 CH2、C=O、SO2 等；Z 表示 CH 或 N；R1、R2 和 R7 各自独立地表示氢原子、C1-8 烷基等。R3 表示 C1-8 烷基；R4 表示任选取代的 C6-10 芳基或任选取代的 5 至 11 元杂环基团；R5 和 R6 表示氢原子等；L 表示任选被氧代基团取代的 C1-8 烷基链等；n 表示 0 至 2 的任意整数）。
• METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS
  申请人：The Rockefeller University

  公开号：EP3402477A2

  公开（公告）日：2018-11-21
• US8551985B2
  申请人：——

  公开号：US8551985B2

  公开（公告）日：2013-10-08
• [EN] METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS<br/>[FR] MÉTHODES POUR LE TRAITEMENT DE TROUBLES ASSOCIÉS À DES CELLULES SUPPRESSIVES DÉRIVÉES DE CELLULES MYÉLOÏDES
  申请人：UNIV ROCKEFELLER

  公开号：WO2017123568A2

  公开（公告）日：2017-07-20

  The invention features methods of treating disorders related to increased levels of myeloid derived suppressor cells such as cancer or infections. The disclosure also provides methods of treating cancer including combinations of LXRβ agonists and immunotherapies such as PD1 inhibitors, PDL1 inhibitors, and adoptive T-cell transfer therapy.