N-phenyl-N-(3-(6-(piperazine-1-carbonyl)pyridine-3-yl)prop-2-yn-1-yl)pentaneamide

• 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: N-phenyl-N-(3-(6-(piperazine-1-carbonyl)pyridine-3-yl)prop-2-yn-1-yl)pentaneamide
• 英文别名: N-phenyl-N-[3-[6-(piperazine-1-carbonyl)pyridin-3-yl]prop-2-ynyl]pentanamide
• 化学式: C₂₄H₂₈N₄O₂
• 分子量: 404.512
• InChiKey: SMQYCTYXCMQYCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-碘代丙烷 、 N-phenyl-N-(3-(6-(piperazine-1-carbonyl)pyridine-3-yl)prop-2-yn-1-yl)pentaneamide 在 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以51%的产率得到N-(3-(6-(4-isopropylpiperazine-1-carbonyl)pyridine-3-yl)prop-2-yn-1-yl)-N-phenylpentaneamide
  参考文献：
  名称：

  NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT

  摘要：

  公开号：

  EP3327000B1
• 作为产物：
  描述：

  tert-butyl 4-(5-(3-(N-phenylpentaneamido)prop-1-yn-1-yl)picolinoyl)piperazine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 反应 1.5h， 以64%的产率得到N-phenyl-N-(3-(6-(piperazine-1-carbonyl)pyridine-3-yl)prop-2-yn-1-yl)pentaneamide
  参考文献：
  名称：

  NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT

  摘要：

  公开号：

  EP3327000B1

文献信息

• Compound having BLT inhibitory activity and composition, for preventing or treating inflammatory diseases, comprising same as active ingredient
  申请人：DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

  公开号：US10179764B2

  公开（公告）日：2019-01-15

  The present invention relates to a novel compound showing leukotriene B4 receptor 2 (BLT2) inhibitory activity and a pharmaceutical composition, for preventing or treating inflammatory diseases, having same as an active ingredient. The inventors identified a novel compound containing BTL2 inhibitory activity, and experimentally confirmed that the present novel compound had an excellent effect on the enhancement of the cancer cell death, on the inhibition of the metastasis and chemotactic mobility, and on the anti-asthma activity. Therefore, the present novel compound can be used as a very effective pharmaceutical component for treating the inflammatory-related diseases.

  本发明涉及一种具有白三烯B4受体2（BLT2）抑制活性的新型化合物，以及以其为活性成分的用于预防或治疗炎症性疾病的药物组合物。本发明人发现了一种含有 BTL2 抑制活性的新型化合物，并通过实验证实本新型化合物在增强癌细胞死亡、抑制转移和趋化移动以及抗哮喘活性方面具有极佳的效果。因此，本新型化合物可用作治疗炎症相关疾病的一种非常有效的药物成分。
• [EN] NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT<br/>[FR] NOUVEAU COMPOSÉ AYANT UNE ACTIVITÉ INHIBITRICE DE BLT ET COMPOSITION POUR PRÉVENIR OU TRAITER DES MALADIES INFLAMMATOIRES, LE CONTENANT EN TANT QUE PRINCIPE ACTIF<br/>[KO] BLT 저해 활성을 갖는 신규 화합물 및 이를 유효성분으로 포함하는 염증성 질환 예방 또는 치료용 조성물
  申请人：DONGGUK UNIV INDUSTRY-ACADEMIC COOP FOUND

  公开号：WO2017018750A1

  公开（公告）日：2017-02-02

  본 발명은 BLT2 (Leukotriene B4 receptor 2) 억제 활성을 나타내는 신규 화합물 및 이를 유효성분으로 포함하는 염증성 질환 예방 또는 치료용 약학적 조성물에 관한 것이다. 본 발명에서는, BTL2 억제 활성을 나타내는 신규 화합물을 규명하였으며, 상기 화합물의 우수한 암세포 사멸 증진 및 전이 억제 효과, 주화성 억제 효과, 및 항 천식 효과 등을 실험적으로 확인하였는바, 염증성 질환의 예방 또는 치료에 있어서, 보다 근본적으로 접근하여 타겟치료를 할 수 있을 것으로 기대된다.