4-((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzaldehyde | 603108-84-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4-((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzaldehyde
• 英文别名: 4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzaldehyde
• CAS: 603108-84-5
• 化学式: C₁₇H₁₇NO₃
• 分子量: 283.327
• InChiKey: BJRKBGLIKADETD-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzaldehyde 、 3-氨基苯乙酸甲酯 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,1-二氯乙烷 为溶剂， 反应 1.0h， 生成 3-((4-((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy)benzyl)amino)phenylacetic acid methyl ester
  参考文献：
  名称：

  CARBOXYLIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT

  摘要：

  公开号：

  EP1486491B1

文献信息

• Carboxyoic acid compounds and drugs containing the compounds as the active ingredient
  申请人：Iwahashi Maki

  公开号：US20050222216A1

  公开（公告）日：2005-10-06

  A carboxylic acid compound represented by formula (I): (meanings of the symbols in the formula are as mentioned in the specification) and a pharmaceutical agent comprising the compound. Since the compound represented by formula (I) binds to a DP receptor and shows antagonistic activity for the DP receptor, it is useful for prevention and/or treatment of diseases such as allergic disease (such as allergic rhinitis, allergic conjunctivitis, atopic dermatitis, bronchial asthma and food allergy), systemic mastocytosis, disorders accompanied by systemic mast cell activation, anaphylaxis shock, bronchoconstriction, urticaria, eczema, diseases accompanied by itch (such as atopic dermatitis and urticaria), diseases (such as cataract, retinal detachment, inflammation, infection and sleeping disorders) which is generated secondarily as a result of behavior accompanied by itch (such as scratching and beating), inflammation, chronic obstructive pulmonary diseases, ischemic reperfusion injury, cerebrovascular accident, chronic rheumatoid arthritis, pleurisy, ulcerative colitis and the like.

  一种由公式（I）表示的羧酸化合物：（公式中符号的含义如规范中所述）和包括该化合物的药物制剂。由于公式（I）表示的化合物结合到DP受体并显示DP受体的拮抗活性，因此它对预防和/或治疗过敏性疾病（如过敏性鼻炎，过敏性结膜炎，特应性皮炎，支气管哮喘和食物过敏），全身性肥大细胞增生症，伴随全身性肥大细胞激活的疾病，过敏性休克，支气管痉挛，荨麻疹，湿疹，伴随瘙痒的疾病（如特应性皮炎和荨麻疹），疾病（如白内障，视网膜脱离，炎症，感染和睡眠障碍），这些疾病是由于伴随瘙痒的行为（如抓挠和敲打）而次生产生的，炎症，慢性阻塞性肺疾病，缺血再灌注损伤，脑血管意外，慢性类风湿性关节炎，胸膜炎，溃疡性结肠炎等方面具有用处。
• CARBOXYOIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1486491A1

  公开（公告）日：2004-12-15

  A carboxylic acid compound represented by formula (I): (meanings of the symbols in the formula are as mentioned in the specification) and a pharmaceutical agent comprising the compound. Since the compound represented by formula (I) binds to a DP receptor and shows antagonistic activity for the DP receptor, it is useful for prevention and/or treatment of diseases such as allergic disease (such as allergic rhinitis, allergic conjunctivitis, atopic dermatitis, bronchial asthma and food allergy), systemic mastocytosis, disorders accompanied by systemic mast cell activation, anaphylaxis shock, bronchoconstriction, urticaria, eczema, diseases accompanied by itch (such as atopic dermatitis and urticaria), diseases (such as cataract, retinal detachment, inflammation, infection and sleeping disorders) which is generated secondarily as a result of behavior accompanied by itch (such as scratching and beating), inflammation, chronic obstructive pulmonary diseases, ischemic reperfusion injury, cerebrovascular accident, chronic rheumatoid arthritis, pleurisy, ulcerative colitis and the like.

  一种由式（I）代表的羧酸化合物： (式中符号的含义如说明书所述）和包含该化合物的药剂。 由于式（I）代表的化合物与 DP 受体结合并显示出对 DP 受体的拮抗活性，因此它可用于预防和/或治疗过敏性疾病（如过敏性鼻炎、过敏性结膜炎、特应性皮炎、支气管哮喘和食物过敏）、全身性肥大细胞增多症、伴有全身性肥大细胞活化的疾病、过敏性休克、支气管收缩、荨麻疹、湿疹、伴随瘙痒的疾病（如特应性皮炎和荨麻疹）、因伴随瘙痒的行为（如抓挠和殴打）而继发的疾病（如白内障、视网膜脱落、炎症、感染和睡眠障碍）、炎症、慢性阻塞性肺病、缺血再灌注损伤、脑血管意外、慢性风湿性关节炎、胸膜炎、溃疡性结肠炎等。
• US7351705B2
  申请人：——

  公开号：US7351705B2

  公开（公告）日：2008-04-01
• CARBOXYLIC ACID COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1486491B1

  公开（公告）日：2011-07-13