methyl 4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoate | 502434-61-9

• 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: methyl 4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoate
• 英文别名: 4-((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylmethoxy) benzoic acid methyl ester；methyl 4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoate
• CAS: 502434-61-9
• 化学式: C₁₈H₁₉NO₄
• 分子量: 313.353
• InChiKey: WWVOSNGIONUVFP-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoate 在 草酰氯 、 四丁基氯化铵 、 N,N-二甲基甲酰胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 二氯甲烷 、 水 为溶剂， 反应 5.0h， 生成 benzyl [5-methoxy-2-methyl-1-(4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoyl)-1H-indol-3-yl]acetate
  参考文献：
  名称：

  Discovery of selective indole-based prostaglandin D2 receptor antagonist

  摘要：

  A series of N-benzoyl-2-methylindole-3-acetic acids were synthesized and biologically evaluated as prostaglandin (PG) D-2 receptor antagonists. Some of the selected compounds significantly inhibited OVA-induced vascular permeability in guinea pig conjunctiva after oral dosing. Structure-activity relationship study is presented. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.06.014
• 作为产物：
  描述：

  N-甲基-2-氟苯胺 在 potassium tert-butylate 、 potassium carbonate 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 、 乙醇 为溶剂， 反应 30.5h， 生成 methyl 4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoate
  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

• Indole derivatives
  申请人：Torisu Kazuhiko

  公开号：US20050004097A1

  公开（公告）日：2005-01-06

  Compounds represented by formula (I) wherein all symbols represent the same meanings as described in specification. and salts thereof. Since the compound represented by the formula (I) binds and antagonizes to DP receptor, it is useful for the prevention or treatment against the disease such as allergic disorder, diseases accompanied with itching, secondary diseases generated by behaviors caused by itching, inflammation, chronic obstructive pulmonary disease, ischemic reperfusion disorder, pleuritis complicated by rheumatoid arthritis, cerebrovascular disease, and ulcerative colitis.

  化学式为（I）的化合物及其盐，其中所有符号的含义如规范中所述。由于化学式（I）所代表的化合物能够结合和拮抗DP受体，因此它对于预防或治疗过敏性疾病、伴随瘙痒的疾病、由于瘙痒引起的行为所导致的继发性疾病、炎症、慢性阻塞性肺疾病、缺血再灌注障碍、风湿性关节炎并发的胸膜炎、脑血管疾病和溃疡性结肠炎等疾病具有用处。
• Indole derivatives, process for producing the same and drugs containing the same as the active ingredient
  申请人：Torisu Kazuhiko

  公开号：US20050004096A1

  公开（公告）日：2005-01-06

  Indole derivatives represented by formula (I) wherein all symbols represent the same as that in specification), production methods thereof, and DP receptor antagonist comprising them as active ingredients. Since the compounds of formula (I) binds and antagonizes to DP receptor, they are useful for the prevention and/or treatment against allergic diseases, diseases accompanied with itching, secondary diseases generated by behaviors caused by itching, inflammation, chronic obstructive pulmonary disease, ischemic reperfusion disorder, cerebrovascular disorder, pleuritis complicated by rheumatoid arthritis, ulcerative colitis.

  公式（I）所表示的吲哚衍生物（其中所有符号均与规范中相同），其生产方法以及包含它们作为活性成分的DP受体拮抗剂。由于公式（I）中的化合物结合并拮抗DP受体，因此它们对于预防和/或治疗过敏性疾病、伴随瘙痒的疾病、由瘙痒引起的行为所致的继发疾病、炎症、慢性阻塞性肺疾病、缺血再灌注障碍、脑血管疾病、风湿性关节炎并发的胸膜炎、溃疡性结肠炎等具有用处。
• 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。
• INDOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1424325A1

  公开（公告）日：2004-06-02

  Indole derivatives represented by formula (I)    wherein all symbols represent the same as that in specification), production methods thereof, and DP receptor antagonist comprising them as active ingredients. Since the compounds of formula (I) binds and antagonizes to DP receptor, they are useful for the prevention and/or treatment against allergic diseases, diseases accompanied with itching, secondary diseases generated by behaviors caused by itching, inflammation, chronic obstructive pulmonary disease, ischemic reperfusion disorder, cerebrovascular disorder, pleuritis complicated by rheumatoid arthritis, ulcerative colitis.

  由式（I）代表的吲哚衍生物 其中所有符号均与说明书中的符号相同）的吲哚衍生物、其生产方法以及以它们为活性成分的 DP 受体拮抗剂。 由于式（I）化合物能结合并拮抗 DP 受体，因此可用于预防和/或治疗过敏性疾病、伴随瘙痒的疾病、由瘙痒引起的行为所导致的继发性疾病、炎症、慢性阻塞性肺病、缺血性再灌注疾病、脑血管疾病、类风湿性关节炎并发的胸膜炎、溃疡性结肠炎。
• INDOLE DERIVATIVES
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1424335A1

  公开（公告）日：2004-06-02

  Compounds represented by formula (I) wherein all symbols represent the same meanings as described in specification. and salts thereof. Since the compound represented by the formula (I) binds and antagonizes to DP receptor, it is useful for the prevention or treatment against the disease such as allergic disorder, diseases accompanied with itching, secondary diseases generated by behaviors caused by itching, inflammation, chronic obstructive pulmonary disease, ischemic reperfusion disorder, pleuritis complicated by rheumatoid arthritis, cerebrovascular disease, and ulcerative colitis.

  式 (I) 所代表的化合物 及其盐类。 由于式（I）代表的化合物能与 DP 受体结合并产生拮抗作用，因此可用于预防或治疗过敏性疾病、伴随瘙痒的疾病、由瘙痒引起的行为导致的继发性疾病、炎症、慢性阻塞性肺病、缺血性再灌注疾病、类风湿性关节炎并发的胸膜炎、脑血管疾病和溃疡性结肠炎等疾病。