(R)-N-(2-(2-((4-(4-chlorobenzyl)-1-oxophthalazin-2(1H)-yl)methyl)pyrrolidin-1-yl)ethyl)-4-methoxybutanamide | 1035040-11-9

• 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: (R)-N-(2-(2-((4-(4-chlorobenzyl)-1-oxophthalazin-2(1H)-yl)methyl)pyrrolidin-1-yl)ethyl)-4-methoxybutanamide
• 英文别名: N-[2-((2R)-2-{[4-[(4-chlorophenyl)methyl]-1-oxo-2(1H)-phthalazinyl]methyl}-1-pyrrolidinyl)ethyl]-4-(methyloxy)butanamide；N-[2-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxophthalazin-2-yl]methyl]pyrrolidin-1-yl]ethyl]-4-methoxybutanamide
• CAS: 1035040-11-9
• 化学式: C₂₇H₃₃ClN₄O₃
• 分子量: 497.037
• InChiKey: JJKMOFKIYHXREY-JOCHJYFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (R)-N-(2-(2-((4-(4-chlorobenzyl)-1-oxophthalazin-2(1H)-yl)methyl)pyrrolidin-1-yl)ethyl)-4-methoxybutanamide 在 盐酸 作用下， 以 甲醇 为溶剂， 以100%的产率得到(R)-N-(2-(2-((4-(4-chlorobenzyl)-1-oxophthalazin-2(1H)-yl)methyl)pyrrolidin-1-yl)ethyl)-4-methoxybutanamide hydrochloride salt
  参考文献：
  名称：

  Design of Phthalazinone Amide Histamine H₁ Receptor Antagonists for Use in Rhinitis

  摘要：

  The synthesis of potent amide-containing phthalazinone H-1 histamine receptor antagonists is described. Three analogues 3e, 3g, and 9g were equipotent with azelastine and were longer-acting in vitro. Amide 3g had low oral bioavailability, low brain-penetration, high metabolic clearance, and long duration of action in vivo, and it was suitable for once-daily dosing intranasally, with a predicted dose for humans of approximately 0.5 mg per day.

  DOI：

  10.1021/acsmedchemlett.7b00112
• 作为产物：
  描述：

  (R)-4-(4-chlorobenzyl)-2-(pyrrolidin-2-ylmethyl)phthalazin-1(2H)-one 在 potassium carbonate 、 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 一水合肼 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 丁酮 为溶剂， 反应 117.5h， 生成 (R)-N-(2-(2-((4-(4-chlorobenzyl)-1-oxophthalazin-2(1H)-yl)methyl)pyrrolidin-1-yl)ethyl)-4-methoxybutanamide
  参考文献：
  名称：

  Design of Phthalazinone Amide Histamine H₁ Receptor Antagonists for Use in Rhinitis

  摘要：

  The synthesis of potent amide-containing phthalazinone H-1 histamine receptor antagonists is described. Three analogues 3e, 3g, and 9g were equipotent with azelastine and were longer-acting in vitro. Amide 3g had low oral bioavailability, low brain-penetration, high metabolic clearance, and long duration of action in vivo, and it was suitable for once-daily dosing intranasally, with a predicted dose for humans of approximately 0.5 mg per day.

  DOI：

  10.1021/acsmedchemlett.7b00112

文献信息

• COMPOUNDS
  申请人：Gore Paul Martin

  公开号：US20100184770A1

  公开（公告）日：2010-07-22

  The present invention relates to a compound of formula (I) and salts thereof, process for preparation thereof, to compositions containing the same and to the use of such a compound in the treatment of various diseases, such as allergic rhinitis.

  本发明涉及一种式（I）化合物及其盐，其制备方法，含有该化合物的组合物，以及将该化合物用于治疗各种疾病，如过敏性鼻炎的用途。
• N-Cyclobutyl - Imidazopyridine - Methylamine As TRPV1 Antagonists
  申请人：Biggadike Keith

  公开号：US20140051720A1

  公开（公告）日：2014-02-20

  A compound of formula (I) wherein X represents a H atom, or a CH 2 OH group, Y represents a H atom, or a CH 2 OH group, but X and Y are not both CH 2 OH groups and Ar is selected from or a pharmaceutically acceptable salt thereof.

  化合物的化学式为(I)，其中X代表氢原子或CH2OH基团，Y代表氢原子或CH2OH基团，但X和Y不同时为CH2OH基团，Ar从下列中选择，或其药学上可接受的盐。
• 4-BENZYL-1(2H)-PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS
  申请人：Glaxo Group Limited

  公开号：EP2091538B1

  公开（公告）日：2010-03-03
• 4-BENZYL-L(2H)-PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS
  申请人：Glaxo Group Limited

  公开号：EP2091538A2

  公开（公告）日：2009-08-26
• The TRPVL Antagonists SB-795498 For Treating Rhinitis
  申请人：Bountra Charanjit

  公开号：US20110200646A1

  公开（公告）日：2011-08-18

  The present invention relates to the use of urea compound in the treatment of rhinitis, to aqueous pharmaceutical compositions containing said compound, in particular to compositions suitable for intranasal administration.