N-(2-fluoro-4-(2-(2,2,2-trifluoroacetyl)hydrazine-1-carbonyl)benzyl)-N-(3-fluorophenyl)acetamide

• 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-(2-fluoro-4-(2-(2,2,2-trifluoroacetyl)hydrazine-1-carbonyl)benzyl)-N-(3-fluorophenyl)acetamide
• 英文别名: N-(3-fluorophenyl)-N-[[2-fluoro-4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]phenyl]methyl]acetamide
• 化学式: C₁₈H₁₄F₅N₃O₃
• 分子量: 415.319
• InChiKey: WSHYIUUPQKCRLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  78.5
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-(2-fluoro-4-(2-(2,2,2-trifluoroacetyl)hydrazine-1-carbonyl)benzyl)-N-(3-fluorophenyl)acetamide 在 伯吉斯试剂 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以25.3%的产率得到N-(2-fluoro-4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-N-(3-fluorophenyl)acetamide
  参考文献：
  名称：

  1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME

  摘要：

  公开号：

  EP3330259B1
• 作为产物：
  描述：

  3,4-亚甲基二氧溴苯 在 一水合肼 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 55.0h， 生成 N-(2-fluoro-4-(2-(2,2,2-trifluoroacetyl)hydrazine-1-carbonyl)benzyl)-N-(3-fluorophenyl)acetamide
  参考文献：
  名称：

  1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME

  摘要：

  公开号：

  EP3330259B1

文献信息

• 1,3,4-oxadiazole amide derivative compound as histone deacetylase 6 inhibitor, and pharmaceutical composition containing same
  申请人：Chong Kun Dang Pharmaceutical Corp.

  公开号：US10584117B2

  公开（公告）日：2020-03-10

  The present invention relates to novel compounds having histone deacetylase 6 (HDAC6) inhibitory activity, stereoisomers thereof or pharmaceutically acceptable salts thereof, the use thereof for the preparation of therapeutic medicaments, pharmaceutical compositions containing the same, a method for treating diseases using the composition, and methods for preparing the novel compounds. The novel compounds, stereoisomers thereof or pharmaceutically acceptable salts thereof according to the present invention have histone deacetylase 6 (HDAC6) inhibitory activity and are effective for the prevention or treatment of HDAC6-mediated diseases, including infectious diseases; neoplasms; endocrine, nutritional and metabolic diseases; mental and behavioral disorders; neurological diseases; diseases of the eye and adnexa; cardiovascular diseases; respiratory diseases; digestive diseases; diseases of the skin and subcutaneous tissue; diseases of the musculoskeletal system and connective tissue; or congenital malformations, deformations and chromosomal abnormalities.

  本发明涉及具有组蛋白去乙酰化酶6（HDAC6）抑制活性的新型化合物、其立体异构体或其药学上可接受的盐、其用于制备治疗药物的用途、含有其的药物组合物、使用该组合物治疗疾病的方法以及制备该新型化合物的方法。根据本发明的新型化合物、其立体异构体或其药学上可接受的盐具有组蛋白去乙酰化酶6（HDAC6）抑制活性，可有效预防或治疗HDAC6介导的疾病，包括感染性疾病；肿瘤；内分泌、营养和代谢性疾病；精神和行为障碍；神经系统疾病；眼睛和附件疾病；心血管疾病；呼吸系统疾病；消化系统疾病；皮肤和皮下组织疾病；肌肉骨骼系统和结缔组织疾病；或先天性畸形、变形和染色体异常。
• [EN] 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME<br/>[FR] COMPOSÉ DÉRIVÉ AMIDE DE 1,3,4-OXADIAZOLE UTILISÉ COMME INHIBITEUR DE L'HISTONE DÉSACÉTYLASE 6, ET COMPOSITION PHARMACEUTIQUE CONTENANT CELUI-CI<br/>[KO] 히스톤 탈아세틸화효소 6 억제제로서의 1,3,4-옥사다이아졸 아마이드 유도체 화합물 및 이를 포함하는 약제학적 조성물
  申请人：CHONG KUN DANG PHARMACEUTICAL CORP

  公开号：WO2017018804A1

  公开（公告）日：2017-02-02

  본 발명은 히스톤 탈아세틸화효소 6(Histone deacetylase 6, HDAC6) 억제 활성을 갖는 신규 화합물, 이의 광학 이성질체 또는 이의 약제학적 허용가능한 염, 치료용 약제의 제조를 위한 이의 용도, 이를 함유하는 약제학적 조성물과 상기 조성물을 이용한 치료방법, 및 이의 제조방법에 관한 것이다. 본 발명에 따른 신규 화합물, 이의 광학 이성질체 또는 이의 약제학적 허용가능한 염은 히스톤 탈아세틸화효소 6(Histone deacetylase 6, HDAC6) 억제 활성을 가지며, 감염성 질환, 신생물(neoplasm), 내분비, 영양 및 대사질환, 정신 및 행동 장애, 신경 질환, 눈 및 부속기 질환, 순환기 질환, 호흡기 질환, 소화기 질환, 피부 및 피하조직 질환, 근골격계 및 결합조직 질환 또는 선천 기형, 변형 및 염색체 이상을 포함하는 HDAC6 관련 질환의 예방 또는 치료에 효과적이다.
• 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME
  申请人：Chong Kun Dang Pharmaceutical Corp.

  公开号：EP3330259B1

  公开（公告）日：2020-06-10