N-tert-butyl-6-((4-(4-(3-cyclobutylureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)picolinamide | 1209995-93-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-tert-butyl-6-((4-(4-(3-cyclobutylureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)picolinamide
• 英文别名: N-tert-butyl-6-[[4-[4-(cyclobutylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]pyridine-2-carboxamide
• CAS: 1209995-93-6
• 化学式: C₂₇H₃₅FN₆O₃
• 分子量: 510.612
• InChiKey: BLLTXAWVKONBOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  sodium 6-((4-(4-(3-cyclobutylureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)picolinate 、 叔丁胺 在 1-丙基磷酸酐 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 N-tert-butyl-6-((4-(4-(3-cyclobutylureido)-3-fluorobenzoyl)piperazin-1-yl)methyl)picolinamide
  参考文献：
  名称：

  [EN] 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES
  [FR] DÉRIVÉS DE 1-(4-URÉIDOBENZOYL)PIPÉRAZINE

  摘要：

  本发明涉及具有一般式I的1-(4-脲基苯甲酰基)哌嗪衍生物（我们提醒您，由于在纸质副本的摘要中提供了公式I，因此在此电子版本中未提供公式I）。其中R1为（C1-8）烷基，（C3-8）环烷基或（C3-8）环烷基（C1-3）烷基，每种基团可能被羟基、氰基或卤素取代；R2代表1个或2个可选的卤素；R3为（C1-6）烷基，（C3-6）环烷基或（C3-6）环烷基（C1-3）烷基，每种基团可能被一个或多个卤素取代；A代表含有1-3个来自N、O和S的杂原子的杂芳基环系统，当X为C时，该环系统为5或6元环，当X为N时，为5元环；n为1或2；或其药学上可接受的盐；以及包含这些化合物的药物组合物，以及将这些1-(4-脲基苯甲酰基)哌嗪衍生物用于制造用于治疗或预防动脉粥样硬化及与胆固醇和胆酸转运和代谢相关的疾病的药物。

  公开号：

  WO2010025179A1

文献信息

• 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES
  申请人：Cooke Andrew John

  公开号：US20120015958A1

  公开（公告）日：2012-01-19

  The present invention relates to 1-(4-ureidobenzoyl)piperazine derivatives having the general Formula I (We bring to your attention that formula I is not provided on this electronic version as it is provided in the abstract of the paper copy) Wherein R 1 is (C 1-8 )alkyl, (C 3-8 )cycloalkyl or (C 3-8 )cycloalkyl(C 1-3 )alkyl, each of which may be substituted by hydroxy, cyano or halogen; R 2 represents 1 or 2 optional halogens; R 3 is (C 1-6 )alkyl, (C 3-6 )cycloalkyl or (C 3-6 )cycloalkyl(C 1-3 )alkyl, each of which may be substituted by one or more halogens; A represents a heteroaryl ring system comprising 1-3 heteroatoms selected from N, O and S, which ring system is 5- or 6-membered when X is C, and 5-membered when X is N; n is 1 or 2; or a pharmaceutically acceptable salt thereof; to pharmaceutical compositions comprising the same, and to the use of a these 1-(4-ureidobenzoyl)piperazine derivatives for the manufacture of a medicament for treating or preventing atherosclerosis and related disorders associated with cholesterol and bile acids transport and metabolism.

  本发明涉及具有一般式I的1-(4-尿素基苯甲酰基)哌嗪衍生物（请注意，由于在电子版中没有提供公式I，因此不提供公式I）。其中R1为（C1-8）烷基，（C3-8）环烷基或（C3-8）环烷基（C1-3）烷基，每种基团均可被羟基，氰基或卤素取代；R2表示1或2个可选的卤素；R3为（C1-6）烷基，（C3-6）环烷基或（C3-6）环烷基（C1-3）烷基，每种基团均可被一个或多个卤素取代；A表示含有1-3个从N、O和S中选择的杂环原子的杂环环系，当X为C时，该环系为5-或6-成员环，当X为N时，该环系为5-成员环；n为1或2；或其药学上可接受的盐；以及包含它们的制药组合物，并用于制造用于治疗或预防与胆固醇和胆汁酸转运和代谢相关的动脉粥样硬化和相关疾病的药物的这些1-(4-尿素基苯甲酰基)哌嗪衍生物的用途。
• 1-(4-ureidobenzoyl)piperazine derivatives
  申请人：Cooke Andrew John

  公开号：US08759352B2

  公开（公告）日：2014-06-24

  The present invention relates to 1-(4-ureidobenzoyl)piperazine derivatives having the general Formula I (We bring to your attention that formula I is not provided on this electronic version as it is provided in the abstract of the paper copy) Wherein R1 is (C1-8)alkyl, (C3-8)cycloalkyl or (C3-8)cycloalkyl(C1-3)alkyl, each of which may be substituted by hydroxy, cyano or halogen; R2 represents 1 or 2 optional halogens; R3 is (C1-6)alkyl, (C3-6)cycloalkyl or (C3-6)cycloalkyl(C1-3)alkyl, each of which may be substituted by one or more halogens; A represents a heteroaryl ring system comprising 1-3 heteroatoms selected from N, O and S, which ring system is 5- or 6-membered when X is C, and 5-membered when X is N; n is 1 or 2; or a pharmaceutically acceptable salt thereof; to pharmaceutical compositions comprising the same, and to the use of a these 1-(4-ureidobenzoyl)piperazine derivatives for the manufacture of a medicament for treating or preventing atherosclerosis and related disorders associated with cholesterol and bile acids transport and metabolism.

  本发明涉及一种具有通式I的1-(4-脲基苯甲酰基)哌嗪衍生物（请注意，由于在电子版本中未提供公式I，因此我们无法在此提供公式），其中R1为(C1-8)烷基，(C3-8)环烷基或(C3-8)环烷基(C1-3)烷基，每个基团都可以被羟基、氰基或卤素取代；R2代表1或2个可选的卤素；R3为(C1-6)烷基，(C3-6)环烷基或(C3-6)环烷基(C1-3)烷基，每个基团都可以被一个或多个卤素取代；A代表一个杂环芳基环系，其中包括1-3个从N、O和S中选择的杂原子，当X为C时，该环系为5或6元环，当X为N时，该环系为5元环；n为1或2；或其药学上可接受的盐；制备含有这些1-(4-脲基苯甲酰基)哌嗪衍生物的制药组合物，以及使用这些化合物制备治疗或预防动脉粥样硬化和与胆固醇和胆汁酸转运和代谢有关的相关疾病的药物。
• 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
• DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS
  申请人：MacCoss Malcolm

  公开号：US20110286969A1

  公开（公告）日：2011-11-24

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as wet! as methods of using them to treat disorders associated with the HCV protease An illustrative inventsve compound is shown below: Formula (I).
• TREATMENT AND DIAGNOSIS OF CANCER
  申请人：Rgenix, Inc.

  公开号：US20190125745A1

  公开（公告）日：2019-05-02

  This invention features compounds that modulate the activity of liver X receptors, pharmaceutical compositions including the compounds of the invention, and methods of utilizing those compositions for modulating the activity of liver X receptors for the treatment of cancer.