(E)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-(2-(trifluoromethyl)pyrimidin-5-yl)hept-1-en-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (E)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-(2-(trifluoromethyl)pyrimidin-5-yl)hept-1-en-3-one
• 英文别名: (E)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]hept-1-en-3-one
• 化学式: C₂₀H₂₁F₃N₄O
• 分子量: 390.408
• InChiKey: XJSGWHJYKFIAOF-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (E)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-(2-(trifluoromethyl)pyrimidin-5-yl)hept-1-en-3-one 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以46%的产率得到(E)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-(2-(trifluoromethyl)pyrimidin-5-yl)hept-1-en-3-ol
  参考文献：
  名称：

  [EN] FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF
  [FR] DÉRIVÉS D'ACIDE NONANOÏQUE TÉTRAHYDRONAPHTHYRIDINYLE FLUORÉS ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2016134223A3
• 作为产物：
  描述：

  2-三氟甲基嘧啶-5-甲醛 、 [2-oxo-6-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)hexyl]phosphonic acid dimethyl ester 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以54%的产率得到(E)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-(2-(trifluoromethyl)pyrimidin-5-yl)hept-1-en-3-one
  参考文献：
  名称：

  [EN] FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF
  [FR] DÉRIVÉS D'ACIDE NONANOÏQUE TÉTRAHYDRONAPHTHYRIDINYLE FLUORÉS ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2016134223A3

文献信息

• FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF
  申请人：SciFluor Life Sciences, Inc.

  公开号：US20160244447A1

  公开（公告）日：2016-08-25

  The present invention relates to fluorinated compounds of formula I and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing the fluorinated compounds of the invention, and methods of treating fibrosis, macular degeneration, diabetic retinopathy (DR), macular edema, diabetic macular edema (DME), and macular edema following retinal vein occlusion (RVO), by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及式I的氟化合物及其合成方法。本发明还涉及包含本发明中的氟化合物的制药组合物，以及通过将这些化合物和制药组合物用于需要治疗纤维化、黄斑退化、糖尿病视网膜病变（DR）、黄斑水肿、糖尿病性黄斑水肿（DME）和视网膜静脉阻塞后的黄斑水肿（RVO）的患者来进行治疗的方法。
• FLUORINATED INTEGRIN ANTAGONISTS
  申请人：SCIFLUOR LIFE SCIENCES, INC.

  公开号：US20160075698A1

  公开（公告）日：2016-03-17

  The present invention relates to fluorinated compounds of formula I and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing the fluorinated compounds of the invention, and methods of treating macular degeneration, diabetic retinopathy (DR), macular edema, diabetic macular edema (DME), and macular edema following retinal vein occlusion (RVO), by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及式I的氟化合物及其合成方法。本发明还涉及含有本发明的氟化合物的药物组合物，并通过将这些化合物和药物组合物给予需要治疗黄斑变性、糖尿病视网膜病变（DR）、黄斑水肿、糖尿病性黄斑水肿（DME）和视网膜静脉阻塞后的黄斑水肿（RVO）的受试者来治疗这些疾病。
• Fluorinated integrin antagonists
  申请人：SciFluor Life Sciences, Inc.

  公开号：US10106537B2

  公开（公告）日：2018-10-23

  The present invention relates to fluorinated compounds of formula I and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing the fluorinated compounds of the invention, and methods of treating macular degeneration, diabetic retinopathy (DR), macular edema, diabetic macular edema (DME), and macular edema following retinal vein occlusion (RVO), by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及式 I 的含氟化合物以及合成这些化合物的方法。本发明还涉及含有本发明含氟化合物的药物组合物，以及通过向有需要的受试者施用这些化合物和药物组合物来治疗黄斑变性、糖尿病视网膜病变（DR）、黄斑水肿、糖尿病黄斑水肿（DME）和视网膜静脉闭塞（RVO）后黄斑水肿的方法。
• Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof
  申请人：SciFluor Life Sciences, Inc.

  公开号：US10301307B2

  公开（公告）日：2019-05-28

  The present invention relates to fluorinated compounds of formula I and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing the fluorinated compounds of the invention, and methods of treating fibrosis, macular degeneration, diabetic retinopathy (DR), macular edema, diabetic macular edema (DME), and macular edema following retinal vein occlusion (RVO), by administering these compounds and pharmaceutical compositions to subjects in need thereof.

  本发明涉及式 I 的含氟化合物以及合成这些化合物的方法。 本发明还涉及含有本发明含氟化合物的药物组合物，以及通过向有需要的受试者施用这些化合物和药物组合物来治疗纤维化、黄斑变性、糖尿病视网膜病变（DR）、黄斑水肿、糖尿病黄斑水肿（DME）和视网膜静脉闭塞（RVO）后黄斑水肿的方法。
• FLUORINATED DERIVATIVES OF 3-(2-OXO-3-(3-(5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-YL)PROPYL)IMIDAZOLIDIN-1-YL)PROPANOIC ACID AND USES THEREOF
  申请人：SciFluor Life Sciences, Inc.

  公开号：EP3259271B1

  公开（公告）日：2021-05-05