5-[[(2S)-1-乙酰基-2,3-二氢-1H-吲哚-2-基]甲氧基]-3-[叔丁基硫基]-1-[[4-(5-甲氧基-2-嘧啶基)苯基]甲基]-ALPHA,ALPHA-二甲基-1H-吲哚-2-丙酸 | 1206880-66-1

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 5-[[(2S)-1-乙酰基-2,3-二氢-1H-吲哚-2-基]甲氧基]-3-[叔丁基硫基]-1-[[4-(5-甲氧基-2-嘧啶基)苯基]甲基]-ALPHA,ALPHA-二甲基-1H-吲哚-2-丙酸
• 中文别名: 5-[[(2S)-1-乙酰基-2,3-二氢-1H-吲哚-2-基]甲氧基]-3-[叔丁基硫基]-1-[[4-(5-甲氧基-2-嘧啶基)苯基]甲基]-alpha,alpha-二甲基-1H-吲哚-2-丙酸
• 英文名称: (S)-3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-butylthio)-1-(4-(5-methoxypyrimidin-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoic acid
• 英文别名: 3-[5-[[(2S)-1-acetyl-2,3-dihydroindol-2-yl]methoxy]-3-tert-butylsulfanyl-1-[[4-(5-methoxypyrimidin-2-yl)phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid
• CAS: 1206880-66-1
• 化学式: C₄₀H₄₄N₄O₅S
• 分子量: 692.9
• InChiKey: VYXWHVDEWWHDLH-LJAQVGFWSA-N

物化性质

• 沸点：
  837.1±65.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)
• 溶解度：
  溶于二甲基亚砜

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  50
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  132
• 氢给体数：
  1
• 氢受体数：
  8

制备方法与用途

生物活性方面，AM679是一种高效的FLAP抑制剂。其对FLAP、hLA和hWB的IC50值分别为2.2 nM、0.6 nM和154 nM。

文献信息

• DP2 Antagonist and Uses Thereof
  申请人：BRITTAIN Jason Edward

  公开号：US20110034558A1

  公开（公告）日：2011-02-10

  Described herein is the DP 2 antagonist [2′-(3-benzyl-1-ethyl-ureidomethyl)-6-methoxy-4′-trifluoromethyl-biphenyl-3-yl]-acetic acid, or a pharmaceutically acceptable salt thereof. Also described are methods of preparing the DP2 antagonist, or a pharmaceutically acceptable salt thereof. Also described herein are pharmaceutical compositions suitable for administration to a mammal that include the DP 2 antagonist, or a pharmaceutically acceptable salt thereof, and methods of using such pharmaceutical compositions for treating respiratory diseases or conditions, allergic diseases or conditions, inflammatory diseases or conditions, as well as other prostaglandin D 2 -dependent or prostaglandin D 2 -mediated diseases or conditions.

  本文描述了DP2拮抗剂[2'-(3-苄基-1-乙基-脲甲基)-6-甲氧基-4'-三氟甲基-联苯-3-基]-乙酸，或其药用盐。还描述了制备DP2拮抗剂或其药用盐的方法。本文还描述了适合用于哺乳动物的药物组合物，包括DP2拮抗剂或其药用盐，并描述了使用这种药物组合物治疗呼吸道疾病或症状、过敏性疾病或症状、炎症性疾病或症状，以及其他前列腺素D2依赖性或前列腺素D2介导的疾病或症状的方法。
• OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS
  申请人：Hutchinson John Howard

  公开号：US20120184496A1

  公开（公告）日：2012-07-19

  Described herein are ophthalmic pharmaceutical compositions, wherein the ophthalmic pharmaceutical compositions are in a form suitable for administration to an eye of a mammal. Ophthalmic pharmaceutical compositions disclosed herein include at least one DP 2 receptor antagonist compound and are used to treat or prevent ophthalmic diseases or conditions.

  本文描述了眼科药物组合物，其中眼科药物组合物以适合哺乳动物眼部给药的形式存在。本文所披露的眼科药物组合物包括至少一种DP2受体拮抗剂化合物，并用于治疗或预防眼科疾病或状况。
• DP2 ANTAGONIST AND USES THEREOF
  申请人：Brittain Jason Edward

  公开号：US20130053444A1

  公开（公告）日：2013-02-28

  Described herein is the DP 2 anatgonist 2-(3-(2-((tert-butylthio)methyl)-4-(2,2-dimethyl-propionylamino)phenoxy)-4-methoxyphenyl)acetic acid, or a pharmaceutically acceptable salt thereof. Also described are methods of preparing the DP 2 anatgonist, or a pharmaceutically acceptable salt thereof. Also described herein are pharmaceutical compositions suitable for administration to a mammal that include the DP 2 anatgonist, or a pharmaceutically acceptable salt thereof, and methods of using such pharmaceutical compositions for treating respiratory diseases or conditions, allergic diseases or conditions, inflammatory diseases or conditions, as well as other prostaglandin D 2 -dependent or prostaglandin D 2 -mediated diseases or conditions.

  本文描述了DP2拮抗剂2-(3-(2-((叔丁基硫甲基)-4-(2,2-二甲基丙酰胺)苯氧基)-4-甲氧基苯基)乙酸或其药学上可接受的盐。还描述了制备DP2拮抗剂或其药学上可接受的盐的方法。本文还描述了适用于给哺乳动物的药物组合物，包括DP2拮抗剂或其药学上可接受的盐，以及使用这样的药物组合物治疗呼吸道疾病或病症、过敏性疾病或病症、炎症性疾病或病症以及其他前列腺素D2依赖性或前列腺素D2介导的疾病或病症的方法。
• TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR ADMINISTRATION TO AN EYE
  申请人：Amira Pharmaceuticals, Inc.

  公开号：EP2379078A2

  公开（公告）日：2011-10-26
• TOPICAL FORMULATIONS OF FLAP INHIBITORS FOR THE TREATMENT OF DERMATOLOGICAL CONDITIONS
  申请人：Amira Pharmaceuticals, Inc.

  公开号：EP2381945A2

  公开（公告）日：2011-11-02