3-{[2-(2-fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)-1-phenylethyl]amino}cyclobut-3-ene-1,2-dione | 1105678-84-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-{[2-(2-fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)-1-phenylethyl]amino}cyclobut-3-ene-1,2-dione
• 英文别名: 3-[[2-(2-fluorophenyl)pyridin-4-yl]amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione
• CAS: 1105678-84-9
• 化学式: C₂₃H₁₈FN₃O₂
• 分子量: 387.413
• InChiKey: QORWVTRTDZBDNT-CQSZACIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  71.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-[(2-bromopyridin-4-yl)amino]-4-{[(1R)-1-phenylethyl]amino}cyclobut-3-ene-1,2-dione 、 2-氟苯硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 乙醇 、 水 为溶剂， 反应 0.08h， 以18%的产率得到3-{[2-(2-fluorophenyl)pyridin-4-yl]amino}-4-{[(1R)-1-phenylethyl]amino}cyclobut-3-ene-1,2-dione
  参考文献：
  名称：

  Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2)

  摘要：

  A novel series of inhibitors for mitogen activated protein kinase-activated protein kinase 2 (MK-2) are reported. These squarate based inhibitors were identified via a high-throughput screen. An MK2 co-structure with the starting ligand was obtained and a structure based approach was followed to optimize potency and selectivity.

  DOI：

  10.1016/j.bmc.2009.03.041

文献信息

• Compositions and Methods for Treating Cutaneous Scarring
  申请人：Lander Cynthia

  公开号：US20140072613A1

  公开（公告）日：2014-03-13

  The described invention provides compositions, dressings and methods for treating a cutaneous scar in a subject. The compositions of the derived invention contains a pharmaceutical composition comprising a therapeutic amount of a Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK2) inhibitor comprising an MK2 polypeptide inhibitor or a functional equivalent thereof, and a pharmaceutically acceptable carrier.
• FORMULATION OF MK2 INHIBITOR PEPTIDES
  申请人：MOERAE MATRIX, INC.

  公开号：US20160200782A1

  公开（公告）日：2016-07-14

  The described invention provides pharmaceutical formulations comprising a polypeptide of amino acid sequence YARAAARQARAKALARQLGVAA (SEQ ID NO: 1) or a functional equivalent thereof with improved stability and bioavailability.
• USE OF MKS INHIBITOR PEPTIDE-CONTAINING COMPOSITIONS FOR TREATING NON-SMALL CELL LUNG CANCER WITH SAME
  申请人：Moerae Matrix, Inc.

  公开号：US20160263187A1

  公开（公告）日：2016-09-15

  The described invention provides pharmaceutical compositions, systems and methods for treating a non-small cell lung cancer (NSCLC) solid tumor comprising a population of tumor cells. The method includes administering a pharmaceutical composition comprising a therapeutic amount of a polypeptide having the amino acid sequence YARAAARQARAKALARQLGVAA (SEQ ID NO: 1) or functional equivalent thereof, and a pharmaceutically acceptable carrier, wherein therapeutic amount of the polypeptide is effective to inhibit a kinase activity in the population of tumor cells and to reduce cancer cell proliferation, to reduce tumor size, to reduce tumor burden, to induce tumor cell death, to overcome tumor chemoresistance, to enhance tumor chemosensitivity, or a combination thereof.
• USE OF MK2 INHIBITOR PEPTIDE-CONTAINING COMPOSITIONS FOR TREATING NON-SMALL CELL LUNG CANCER WITH SAME
  申请人：Moerae Matrix, Inc.

  公开号：US20190022176A1

  公开（公告）日：2019-01-24

  The described invention provides pharmaceutical compositions, systems and methods for treating a solid tumor comprising a population of tumor cells. The method includes administering a pharmaceutical composition comprising a therapeutic amount of a polypeptide having the amino acid sequence YARAAARQARAKALARQLGVAA (SEQ ID NO: 1) or functional equivalent thereof, and a pharmaceutically acceptable carrier, wherein therapeutic amount of the polypeptide is effective to inhibit a kinase activity in the population of tumor cells and to reduce cancer cell proliferation, to reduce tumor size, to reduce tumor burden, to induce tumor cell death, to overcome tumor chemoresistance, to enhance tumor chemosensitivity, or a combination thereof.
• IMMUNOMODULATORY EFFECT OF INHALED KINASE INHIBITOR PEPTIDES IN LUNG
  申请人：MOERAE MATRIX, INC.

  公开号：US20190134153A1

  公开（公告）日：2019-05-09

  The described invention provides a method of treating a subject that is in an immunotolerant state with regard to an immune stimulating agent that is no longer therapeutically effective for treating a disease, disorder or condition of lung. The method includes the steps, in order, of (a) administering (1) a first pharmaceutical formulation formulated for delivery by inhalation containing an immunomodulatory amount of a kinase-inhibiting peptide, and (b) then administering a second pharmaceutical formulation containing a therapeutic amount of the immunostimulatory agent. The the method is effective to resensitize the subject to the immune stimulating agent so that the subject is once again immunoresponsive to it upon its subsequent administration.