1-(4-(benzo[d]oxazol-2-ylamino)phenyl)ethan-1-one | 58523-79-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-(benzo[d]oxazol-2-ylamino)phenyl)ethan-1-one
• 英文别名: 2-(4'-Acetylanilin)-benzoxazol；1-(4-benzooxazol-2-ylamino-phenyl)-ethanone；1-[4-(1,3-Benzoxazol-2-ylamino)phenyl]ethanone
• CAS: 58523-79-8
• 化学式: C₁₅H₁₂N₂O₂
• 分子量: 252.272
• InChiKey: XCABBTHWGPPPNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氟苯甲醛 、 1-(4-(benzo[d]oxazol-2-ylamino)phenyl)ethan-1-one 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 以53%的产率得到(E)-1-(4-(benzo[d]oxazol-2-ylamino)phenyl)-3-(2-fluorophenyl)prop-2-en-1-one
  参考文献：
  名称：

  Identification of nitrofuranylchalcone tethered benzoxazole-2-amines as potent inhibitors of drug resistant Mycobacterium tuberculosis demonstrating bactericidal efficacy

  摘要：

  DOI：

  10.1016/j.bmc.2022.116777
• 作为产物：
  描述：

  4-氨基苯乙酮 在 三乙胺 、 potassium hydroxide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 1-(4-(benzo[d]oxazol-2-ylamino)phenyl)ethan-1-one
  参考文献：
  名称：

  Identification of nitrofuranylchalcone tethered benzoxazole-2-amines as potent inhibitors of drug resistant Mycobacterium tuberculosis demonstrating bactericidal efficacy

  摘要：

  DOI：

  10.1016/j.bmc.2022.116777

文献信息

• LLP2A- BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT
  申请人：The Regents of the University of California

  公开号：EP3453711A1

  公开（公告）日：2019-03-13

  The present invention provides compounds and pharmaceutical compositions of a peptidomimetic ligand, e.g. LLP2A, conjugated with a bisphosphonate drug, e.g. Alendronate. The compounds and pharmaceutical compositions of the present invention are useful in the treatment of osteoporosis and for the promotion of bone growth due to their specificity for the α4β1 integrin on mesenchymal stem cells and for the surface of bone.

  本发明提供了拟肽配体（如LLP2A）与双膦酸盐药物（如阿仑膦酸盐）共轭的化合物和药物组合物。由于本发明的化合物和药物组合物对间充质干细胞上的α4β1整合素和骨表面具有特异性，因此可用于治疗骨质疏松症和促进骨生长。
• VARMA R., CURR. SCI. (INDIA) <CUSC-AM>, 1976, 45, NO 2, 53-54
  作者：VARMA R.

  DOI：——

  日期：——
• Heterocyclic Ligands for Integrin Imaging and Therapy
  申请人：Carpenter Richard D.

  公开号：US20100310455A1

  公开（公告）日：2010-12-09

  The present invention provides α 4 β 1 integrin ligands that display high binding affinity, specificity, and stability. The ligands comprise a peptide having n independently selected amino acids, wherein at least one amino acid is an unnatural amino acid or a D-amino acid, and wherein n is an integer of from 3 to 20. Methods are provided for administering the ligands for treating cancer, inflammatory diseases, and autoimmune diseases. Also provided are methods for administering the ligands for imaging a tumor, organ, or tissue in a subject.
• LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT
  申请人：Lam Kit S.

  公开号：US20140056855A1

  公开（公告）日：2014-02-27

  The present invention provides compounds and pharmaceutical compositions of a peptidomimetic ligand, e.g. LLP2A, conjugated with a bisphosphonate drug, e.g. Alendronate. The compounds and pharmaceutical compositions of the present invention are useful in the treatment of osteoporosis and for the promotion of bone growth due to their specificity for the α 4 β 1 integrin on mesenchymal stem cells and for the surface of bone.
• US8486370B2
  申请人：——

  公开号：US8486370B2

  公开（公告）日：2013-07-16