5-chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 5-chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine
• 英文别名: 5-chloro-N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
• 化学式: C₁₅H₁₃ClN₂O
• 分子量: 272.734
• InChiKey: CKVTZZTZMCGPHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  38.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine 、 乙酰氧基乙酰氯 在 aluminum (III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 5.17h， 以83%的产率得到2-((5-chlorobenzo[d]oxazol-2-yl)(4-ethylphenyl)amino)-2-oxoethyl acetate
  参考文献：
  名称：

  벤즈옥사졸 유도체, 이의 제조 방법 및 이를 포함하는 약학적 조성물

  摘要：

  本发明提供苯并噁唑衍生物、其立体异构体、药学上可接受的盐、溶剂或水合物。

  公开号：

  KR20190041897A
• 作为产物：
  描述：

  4-乙基异硫氰酸苯酯 在 potassium superoxide 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 40.0h， 生成 5-chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine
  参考文献：
  名称：

  벤즈옥사졸 유도체, 이의 제조 방법 및 이를 포함하는 약학적 조성물

  摘要：

  本发明提供苯并噁唑衍生物、其立体异构体、药学上可接受的盐、溶剂或水合物。

  公开号：

  KR20190041897A

文献信息

• USE OF BENZO-HETEROCYCLE DERIVATIVES FOR PREVENTING AND TREATING CANCER OR FOR INHIBITING CANCER METASTASIS
  申请人：SNU R&DB Foundation

  公开号：EP2497471A2

  公开（公告）日：2012-09-12

  This application relates to a novel benzo-heterocycle derivative and more particularly, it relates a composition for preventing and treating cancer or for inhibiting metastasis comprising benzo-heterocycle derivative or pharmaceutically acceptable salts thereof as an active ingredient. The present inventors confirmed that KRS has an effect on cancer metastasis by facilitating cancer (or tumor) cell migration through interaction with 67LR, and also found that a substance inhibiting the interaction between KRS and 67LR can prevent and treat cancer by inhibiting cancer cell metastasis. Accordingly, the composition of the present invention can inhibit cancer metastasis, and thus provide a novel means for prevention and treatment of cancer.

  本申请涉及一种新型苯并异环衍生物，更具体地说，它涉及一种用于预防和治疗癌症或抑制转移的组合物，其活性成分包括苯并异环衍生物或其药学上可接受的盐。本发明者证实，KRS 通过与 67LR 相互作用促进癌（或肿瘤）细胞迁移，从而对癌症转移产生影响，还发现抑制 KRS 与 67LR 相互作用的物质可以通过抑制癌细胞转移来预防和治疗癌症。因此，本发明的组合物可以抑制癌症转移，从而为癌症的预防和治疗提供了一种新的手段。
• Use of benzo-heterocycle derivatives for preventing and treating cancer or for inhibiting cancer metastasis
  申请人：Kim Sunghoon

  公开号：US10130611B2

  公开（公告）日：2018-11-20

  This application relates to a novel benzo-heterocycle derivative and more particularly, it relates a composition for preventing and treating cancer or for inhibiting metastasis comprising benzo-heterocycle derivative or pharmaceutically acceptable salts thereof as an active ingredient. The present inventors confirmed that KRS has an effect on cancer metastasis by facilitating cancer (or tumor) cell migration through interaction with 67LR, and also found that a substance inhibiting the interaction between KRS and 67LR can prevent and treat cancer by inhibiting cancer cell metastasis. Accordingly, the composition of the present invention can inhibit cancer metastasis, and thus provide a novel means for prevention and treatment of cancer.

  本申请涉及一种新型苯并异环衍生物，更具体地说，它涉及一种用于预防和治疗癌症或抑制转移的组合物，其活性成分包括苯并异环衍生物或其药学上可接受的盐。本发明者证实，KRS 通过与 67LR 相互作用促进癌（或肿瘤）细胞迁移，从而对癌症转移产生影响，还发现抑制 KRS 与 67LR 相互作用的物质可以通过抑制癌细胞转移来预防和治疗癌症。因此，本发明的组合物可以抑制癌症转移，从而为癌症的预防和治疗提供了一种新的手段。
• Synthesis and evaluation of benzoxazole derivatives as 5-lipoxygenase inhibitors
  作者：Hyunmin Song、Sei-Ryang Oh、Hyeong-Kyu Lee、Gyoonhee Han、Joo-Heon Kim、Hyeun Wook Chang、Kyung-Eun Doh、Hee-Kyung Rhee、Hea-Young Park Choo

  DOI：10.1016/j.bmc.2010.08.047

  日期：2010.11

  5-Lipoxygenase (5-LOX) is important enzyme in the biosynthesis of leukotrienes, and is a potential target in the treatment of asthma and allergy. We designed and synthesized a series of benzoxazoles and benzothiazoles as 5-LOX inhibitors. Fourteen compounds prepared showed the inhibition of LTC4 formation with IC50 value of 0.12-23.88 mu M. Also two compounds 2d and 2g showed improved airway hypersensitiveness. (C) 2010 Elsevier Ltd. All rights reserved.
• EP2497471B1
  申请人：——

  公开号：EP2497471B1

  公开（公告）日：2015-04-15
• US2022/401492
  申请人：——

  公开号：——

  公开（公告）日：——