ethyl 4-({6-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl][1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}amino)benzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 4-({6-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl][1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}amino)benzoate
• 英文别名: ethyl 4-[[5-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]benzoate
• 化学式: C₂₄H₁₉N₇O₃
• 分子量: 453.5
• InChiKey: CABYIDFLABOZPQ-AFUMVMLFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• Oxadiazolopyrazine derivatives as pharmaceutically active compounds
  申请人：4SC AG

  公开号：EP1529531A1

  公开（公告）日：2005-05-11

  The present invention relates to furazanopyrazine derivatives of the general formula (I): wherein: R' represents -NR1R2 or -OR9 R" represents -NR5-NR3R4, -NR5-ORb, -O-NR3R4; wherein R1 to R9 in formula (1) represent independently of each other a variety of different substituents comprising alkyl, aryl, aralkyl, alkylaryl, heteroaryl groups and monofunctional moieties.

  本发明涉及一般式(I)的呋嗪吡唑衍生物： 其中： R'代表-NR1R2或-OR9 R"代表-NR5-NR3R4，-NR5-ORb，-O-NR3R4； 其中式(1)中的R1至R9分别独立地代表各种不同取代基，包括烷基、芳基、芳基烷基、烷基芳基、杂环芳基和单官能团。
• Heterocyclic compounds as pharmaceutically active compounds
  申请人：Aulinger-Fuchs Katharina

  公开号：US20050143382A1

  公开（公告）日：2005-06-30

  The present invention relates to furazanopyrazine derivatives of the general formula (I): wherein: R′ represents —NR 1 R 2 or —OR 9 R″ represents —NR 5 —NR 3 R 4 , —NR 5 —OR b , —O—NR 3 R 4 ; wherein R 1 to R 9 in formula (I) represent independently of each other a variety of different substituents comprising alkyl, aryl, aralkyl, alkylaryl, heteroaryl groups and monofunctional moieties.

  本发明涉及通式(I)的呋嗪并吡嗪衍生物，其中：R′代表—NR1R2或—OR9；R″代表—NR5—NR3R4，—NR5—ORb，—O—NR3R4；在公式(I)中，R1至R9独立地代表多种不同的取代基，包括烷基、芳基、芳基烷基、烷基芳基、杂环芳基基团和单官能团。
• DISCOVERY OF NOVEL ANTICANCER COMPOUNDS BASED ON CONFORMATIONAL SAMPLING OF QUINOXALINHYDRAZIDE PHARMACOPHORE
  申请人：NEAMATI Nouri

  公开号：US20100160313A1

  公开（公告）日：2010-06-24

  The present invention relates in general to anti-cancer drug design. More specifically, the invention provides methods of mapping and screening for anti-cancer agents using pharmacophore models. The invention demonstrates that, conformational sampling of a small lead molecule, followed by representative pharmacophore model development, is an efficient approach for rational design of novel anticancer agents with similar or better potency than the original lead but with different physicochemical properties.
• SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS
  申请人：BADEN-WÜRTTEMBERG STIFTUNG GMBH

  公开号：US20150210717A1

  公开（公告）日：2015-07-30

  The present invention relates to novel inhibitors of p21. These inhibitors are useful as therapeutic agents for promot ing cell regeneration and in the treatment of cancer. Improvement of cell regeneration is particularly desirable in patients of old age or in patients suffering from chronic diseases, acute or chronic injuries.
• P38 MAPK INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：ALLINKY BIOPHARMA

  公开号：US20160194336A1

  公开（公告）日：2016-07-07

  The present invention provides new p38 mitogen activated protein (MAP) kinase allosteric inhibitors which are useful for the treatment of p38 mediated diseases such as inflammatory diseases, e.g. rheumatoid arthritis, osteoarthritis, psoriatic arthritis, pain, musculoskeletal system inflammation and musculoskeletal system aging. The present invention thus provides compounds for use in a method for treatment of inflammatory diseases, as well as for use in therapy in general, wherein the compound binds to the region composed of amino acids at positions 170-199 of Mitogen-activated protein kinase 14 (Uniprot accession nr Q16539 or SEQ ID No 1) and/or Mitogen-activated protein kinase 11 (Uniprot accession nr Q15759 or SEQ ID No 2), SEQ ID NO. 1 and SEQ ID NO. 2 being the amino acid sequences of MAPK14 (p38cx) and MAPK11 (p38β), respectively. The specific region composed of amino acids at positions 170-199 is herein disclosed as SEQ ID NO. 4 for Mitogen-activated protein kinase 14 and SEQ ID NO. 5 for Mitogen-activated protein kinase 11 and are believed to be new inhibitory binding sites.