2-tert-Butyl-N-[4-(2 4-dioxo-3 4-dihydro-1H-naphtho[2,1-b][1,4]diazepin-5(2H)-yl)2-fluorophenyl]benzamide

• 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: 2-tert-Butyl-N-[4-(2 4-dioxo-3 4-dihydro-1H-naphtho[2,1-b][1,4]diazepin-5(2H)-yl)2-fluorophenyl]benzamide
• 英文别名: 2-tert-butyl-N-[4-(2,4-dioxo-1H-benzo[g][1,5]benzodiazepin-5-yl)-2-fluorophenyl]benzamide
• 化学式: C₃₀H₂₆FN₃O₃
• 分子量: 495.553
• InChiKey: JDSVNRKIYHJCBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  5.0
• 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：
  4

反应信息

• 作为产物：
  描述：

  2-叔丁基苯甲酰氯 、 5-(4-amino-3-fluorophenyl)-1H-naphtho[2,1-b][1,4]diazepine-2,4(3H,5H)-dione 在 吡啶 作用下， 反应 4.5h， 以49%的产率得到2-tert-Butyl-N-[4-(2 4-dioxo-3 4-dihydro-1H-naphtho[2,1-b][1,4]diazepin-5(2H)-yl)2-fluorophenyl]benzamide
  参考文献：
  名称：

  P2X4 RECEPTOR ANTAGONIST

  摘要：

  公开号：

  EP3020707B1

文献信息

• P2X4 receptor antagonist
  申请人：NIPPON CHEMIPHAR CO., LTD.

  公开号：US10150744B2

  公开（公告）日：2018-12-11

  The present invention relates to a compound represented by the following general formula (I), which has a P2X4 receptor antagonistic activity (in the formula, R1, R2 and R3 represent hydrogen atom, an alkyl group having 1 to 8 carbon atoms, an alkoxy group having 1 to 8 carbon atoms, a halogen atom, and the like, X represents C or N, Y represents N or C(═O), provided that when X is C, Y represents N, and when X is N, Y represents C(═O), the double line consisting of the solid line and the broken line represents a single bond or double bond, n represents an integer of 0 to 6, Z represents O, S, or an atomic bond, and A represents benzene ring, pyridine ring, and the like).

  本发明涉及由以下通式(I)代表的化合物，该化合物具有P2X4受体拮抗活性(式中，R1、R2和R3代表氢原子、具有1至8个碳原子的烷基、具有1至8个碳原子的烷氧基、卤素原子等，X代表C或N、Y代表N或C(═O)，条件是当X为C时，Y代表N，当X为N时，Y代表C(═O)，实线和折线组成的双线代表单键或双键，n代表0至6的整数，Z代表O、S或原子键，A代表苯环、吡啶环等）。
• MEDICAMENT FOR TREATMENT OF MULTIPLE SCLEROSIS
  申请人：NIPPON CHEMIPHAR CO., LTD.

  公开号：US20210121478A1

  公开（公告）日：2021-04-29

  A medicament for preventive and/or therapeutic treatment of multiple sclerosis, especially a pain accompanying multiple sclerosis such as neuropathic pain, which contains a compound having a P2X4 receptor antagonist activity such as a compound represented by the general formula (IH), or a salt thereof, or a hydrate or solvate thereof as an active ingredient.
• P2X4 RECEPTOR ANTAGONIST
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP3020707B1

  公开（公告）日：2019-08-21