3-(3-fluoro-2-aminopyridin-4-ylmethyl)-4-methyl-7-(pyrimidin-2-yloxy)-2-oxo-2H-1-benzopyran | 946126-49-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3-(3-fluoro-2-aminopyridin-4-ylmethyl)-4-methyl-7-(pyrimidin-2-yloxy)-2-oxo-2H-1-benzopyran
• 英文别名: 4-methyl-3-(3-fluoro-2-aminopyridin-4-ylmethyl)-7-(pyrimidin-2-yloxy)-2-oxo-2H-1-benzopyran；3-[(2-amino-3-fluoropyridin-4-yl)methyl]-4-methyl-7-pyrimidin-2-yloxychromen-2-one
• CAS: 946126-49-4
• 化学式: C₂₀H₁₅FN₄O₃
• 分子量: 378.363
• InChiKey: PRSHHPROZJYHPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-(3-fluoro-2-aminopyridin-4-ylmethyl)-4-methyl-7-(pyrimidin-2-yloxy)-2-oxo-2H-1-benzopyran 在 吡啶 、 potassium hydroxide 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 3.67h， 生成 3-{2-(methylaminosulfonyl)amino-3-fluoropyridin-4-ylmethyl}-4-meth yl-7-(pyrimidin-2-yloxy)-2-oxo-2H-1-benzopyran potassium salt
  参考文献：
  名称：

  METHOD FOR PRODUCING COUMARIN DERIVATIVE

  摘要：

  公开号：

  EP2754654B1
• 作为产物：
  描述：

  2-acetylamino-5-chloro-3-fluoropyridine 在 哌啶 、 potassium carbonate 、 溶剂黄146 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 2,2,2-三氟乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.5h， 生成 3-(3-fluoro-2-aminopyridin-4-ylmethyl)-4-methyl-7-(pyrimidin-2-yloxy)-2-oxo-2H-1-benzopyran
  参考文献：
  名称：

  METHOD FOR PRODUCING COUMARIN DERIVATIVE

  摘要：

  公开号：

  EP2754654B1

文献信息

• ｐ27 단백질 유도제
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA (Chugai Pharmaceutical Co., Ltd.) 추가이 세이야쿠 가부시키가이샤(520000045945)

  公开号：KR101511396B1

  公开（公告）日：2015-04-13

  본 발명은, 하기 일반식 (11) 로 나타내는 화합물 또는 그 약학상 허용할 수 있는 염을 유효 성분으로 하는 p27 단백질 유도제를 제공한다. [식 중, G1, G2, G3 및 G8은, 각각 독립적으로 -N= 등에서 선택되고, 고리 G6은 2 가의 아릴기 등에서 선택되고, A 는 아미노기 등에서 선택되고, G4 는 산소 원자 등에서 선택되고, G5 는 산소 원자 등에서 선택되고, G7 은 -CH2- 등에서 선택되고, R2 는 C1-6 알킬기 등에서 선택된다]

  本发明提供了一种以化合物或其药学上可接受的盐所表示的有效成分作为p27蛋白诱导剂的一般式(11)。[其中，G1、G2、G3和G8分别独立地选择自-N=等，环G6选择自2个芳基等，A选择自氨基等，G4选择自氧原子等，G5选择自氧原子等，G7选择自-CH2-等，R2选择自C1-6烷基等]
• Method for Producing Coumarin Derivative
  申请人：Murakata Masatoshi

  公开号：US20140213786A1

  公开（公告）日：2014-07-31

  The present invention provides a novel method for producing a compound represented by general formula (VII) below or a pharmaceutically acceptable salt thereof or a synthetic intermediate thereof: wherein R 2 represents a hydrogen atom or a halogen atom, R c represents a C 1-6 alkyl group, X represents a group selected from a heteroaryl group etc., R 11 represents an atom or group selected from a hydrogen atom, a halogen atom, a C 1-6 alkyl group, etc., R 16 and R 17 each independently represent an atom or group selected from a hydrogen atom, a C 1-6 alkyl group, etc., and R 15 represents a hydrogen atom or a C 1-6 alkyl group.

  本发明提供了一种生产下列通式（VII）所表示的化合物或其药学上可接受的盐或其合成中间体的新方法：其中，R2代表氢原子或卤素原子，Rc代表C1-6烷基，X代表从杂环基等中选择的基团，R11代表从氢原子、卤素原子、C1-6烷基等中选择的原子或基团，R16和R17各自独立地代表从氢原子、C1-6烷基等中选择的原子或基团，而R15代表氢原子或C1-6烷基。
• Novel Coumarin Derivative Having Antitumor Activity
  申请人：Iikura Hitoshi

  公开号：US20110092700A1

  公开（公告）日：2011-04-21

  The present invention provides a compound represented by general formula (1) below or a pharmaceutically acceptable salt thereof: wherein: X is selected from heteroaryl etc., Y 1 and Y 2 are selected from —N═ etc., Y 3 and Y 4 are selected from —CH═ etc., A is selected from sulfamide etc., R 1 is selected from hydrogen etc., and R 2 is selected from C 1-6 alkyl etc. The compound or salt has sufficiently high antitumor activity, and is useful in the treatment of cell proliferative disorders, particularly cancers. The present invention also provides a pharmaceutical composition containing the compound or salt as an active ingredient.

  本发明提供一种由下式（1）或其药学上可接受的盐所表示的化合物：其中，X选自杂环芳基等；Y1和Y2选自—N═等；Y3和Y4选自—CH═等；A选自磺酰胺等；R1选自氢等；R2选自C1-6烷基等。该化合物或盐具有足够高的抗肿瘤活性，并可用于治疗细胞增殖性疾病，特别是癌症。本发明还提供一种含有该化合物或盐作为活性成分的制药组合物。
• Method for producing coumarin derivative
  申请人：Murakata Masatoshi

  公开号：US09133174B2

  公开（公告）日：2015-09-15

  The present invention provides a novel method for producing a compound represented by general formula (VII) below or a pharmaceutically acceptable salt thereof or a synthetic intermediate thereof: wherein R2 represents a hydrogen atom or a halogen atom, Rc represents a C1-6 alkyl group, X represents a group selected from a heteroaryl group etc., R11 represents an atom or group selected from a hydrogen atom, a halogen atom, a C1-6 alkyl group, etc., R16 and R17 each independently represent an atom or group selected from a hydrogen atom, a C1-6 alkyl group, etc., and R15 represents a hydrogen atom or a C1-6 alkyl group.

  本发明提供了一种制备下列通式（VII）所代表的化合物或其药学上可接受的盐或合成中间体的新方法： 其中，R2代表氢原子或卤素原子，Rc代表C1-6烷基，X代表从杂环基等中选择的基团，R11代表从氢原子、卤素原子、C1-6烷基等中选择的原子或基团，R16和R17各自独立地代表从氢原子、C1-6烷基等中选择的原子或基团，而R15代表氢原子或C1-6烷基。
• p27 Protein Inducer
  申请人：Sakai Toshiyuki

  公开号：US20110009398A1

  公开（公告）日：2011-01-13

  The present invention provides a p27 protein inducing agent comprising a compound represented by general formula (11) below or pharmaceutically acceptable salt thereof as an active ingredient: wherein G 1 , G 2 , G 3 and G 8 are each independently selected from —N═ etc., Ring G 6 is selected from divalent aryl etc., A is selected from amino etc., G 4 is selected from oxygen etc., G 5 is selected from oxygen etc., G 7 is selected from —CH 2 — etc., and R 2 is selected from C 1-6 alkyl etc.

  本发明提供了一种p27蛋白诱导剂，其包含以下通式（11）所表示的化合物或其药学上可接受的盐作为活性成分：其中G1，G2，G3和G8各自独立地选择自—N═等，环G6选择自双价芳基等，A选择自氨基等，G4选择自氧等，G5选择自氧等，G7选择自—CH2—等，R2选择自C1-6烷基等。