2-(6-(4-Aminophenoxy)-3-oxo-3H-xanthen-9-yl)benzoic acid | 359010-70-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-(6-(4-Aminophenoxy)-3-oxo-3H-xanthen-9-yl)benzoic acid
• 英文别名: 2-[3-(4-aminophenoxy)-6-oxoxanthen-9-yl]benzoic acid
• CAS: 359010-70-1
• 化学式: C₂₆H₁₇NO₅
• 分子量: 423.4
• InChiKey: GIERQYKZWFLVGR-UHFFFAOYSA-N

物化性质

• 沸点：
  677.7±55.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Predicted)
• 溶解度：
  DMF:20.0(最大浓度 mg/mL);47.23(最大浓度 mM)DMSO:10.0(最大浓度 mg/mL);23.62(最大浓度 mM)乙醇:10.0(最大浓度 mg/mL);23.62(最大浓度 mM)乙醇:PBS (pH 7.2) (1:3):0.5(最大浓度 mg/mL);1.18(最大浓度 mM)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  98.8
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• REAGENTS FOR THE MEASUREMENT OF PEROXYNITRITES
  申请人：DAIICHI PURE CHEMICALS CO., LTD.

  公开号：EP1553409A1

  公开（公告）日：2005-07-13

  A reagent for measuring peroxynitrite comprising a compound represented by the following general formula (I): wherein R1 represents an amino group, or hydroxy group; R2 represents a 2-carboxyphenyl group; and X1 and X2 independently represent hydrogen atom, or a halogen atom (e.g., 2-[6-(4'-hydroxy)phenoxy -3H-xanthen-3-on-9-yl]benzoic acid, or 2-[6-(4'-amino)phenoxy-3H-xanthen-3-on-9-yl]benzoic acid) or a salt thereof, which does not react with superoxide or nitrogen monoxide, a precursor of peroxynitrite, and specifically reacts with peroxynitrite.

  一种测量过亚硝酸盐的试剂，包括由以下通式(I)代表的化合物： 其中 R1 代表氨基或羟基；R2 代表 2-羧基苯基；X1 和 X2 独立地代表氢原子或卤素原子（例如、2-[6-(4'-羟基)苯氧基-3H-氧杂蒽-3-on-9-基]苯甲酸，或 2-[6-(4'-氨基)苯氧基-3H-氧杂蒽-3-on-9-基]苯甲酸）或其盐，它不与过亚硝酸盐的前体超氧化物或一氧化氮反应，而专门与过亚硝酸盐反应。
• NOVEL HYDROXY RADICAL GENERATION METHOD, AND ANTI-VIRAL MATERIAL UTILIZING HYDROXY RADICAL GENERATED BY THE METHOD
  申请人：Mochigase Co., Ltd.

  公开号：EP2241321A1

  公开（公告）日：2010-10-20

  Disclosed is a novel hydroxy radical generation method which relies on a novel scientific fact relating to the generation of a hydroxy radical and the inactivation of a virus. Also disclosed is an anti-viral material produced by utilizing the method. The anti-viral material comprises a metal oxide powder and a hydroxide which enable the generation of a hydroxy radical that can inactivate a virus. An virus can be inactivated by the action of the hydroxy radical generated from the anti-viral material.

  本发明公开了一种新型羟基自由基生成方法，该方法依赖于与羟基自由基生成和病毒灭活有关的新科学事实。还公开了一种利用该方法生产的抗病毒材料。该抗病毒材料由金属氧化物粉末和氢氧化物组成，可产生羟基自由基，从而灭活病毒。病毒可在抗病毒材料产生的羟基自由基的作用下失活。
• Compositions and methods for acutley raising nitric oxide levels
  申请人：Nature's Sunshine Products, Inc.

  公开号：US11241406B2

  公开（公告）日：2022-02-08

  Disclosed herein are compositions and methods for acutely raising nitric oxide levels in a subject. In one example, the composition can include, an effective amount of a NOS dependent source of nitric oxide; an effective amount of a NOS independent source of nitric oxide; and an effective amount of a myeloperoxidase inhibitor; wherein the composition acutely raises nitric oxide levels in a subject above a level provided by the available sources of nitric oxide in the subject prior to administration of the composition. Further presented is a method of treating a subject for a condition or disorder that is response to nitric oxide therapy, including: acutely raising nitric oxide levels in a subject by simultaneously increasing biosynthesis of nitric oxide, increasing nitrate/nitrite levels, and inhibiting myeloperoxidase activity.

  本文公开了用于急性提高受试者体内一氧化氮水平的组合物和方法。在一个例子中，该组合物可以包括：有效量的依赖于 NOS 的一氧化氮来源；有效量的独立于 NOS 的一氧化氮来源；以及有效量的髓过氧化物酶抑制剂；其中，该组合物可以急性提高受试者体内的一氧化氮水平，使其高于施用该组合物之前受试者体内可用的一氧化氮来源所提供的水平。进一步提出的是一种治疗对一氧化氮疗法有反应的病症或紊乱的方法，包括：通过同时增加一氧化氮的生物合成、增加硝酸盐/亚硝酸盐水平和抑制髓过氧化物酶活性来急性提高受试者体内的一氧化氮水平。
• Reagents for the measurement of peroxynitrites
  申请人：Nagano Tetsuo

  公开号：US20060211122A1

  公开（公告）日：2006-09-21

  A reagent for measuring peroxynitrite comprising a compound represented by the following general formula (I): wherein R 1 represents an amino group, or hydroxy group; R 2 represents a 2-carboxyphenyl group; and X 1 and X 2 independently represent hydrogen atom, or a halogen atom (e.g., 2-[6-(4′-hydroxy)phenoxy -3H-xanthen-3-on-9-yl]benzoic acid, or 2-[6-(4′-amino)phenoxy-3H-xanthen-3-on-9-yl]benzoic acid) or a salt thereof, which does not react with superoxide or nitrogen monoxide, a precursor of peroxynitrite, and specifically reacts with peroxynitrite.

  一种用于测量过亚硝酸盐的试剂，由以下通式(I)代表的化合物组成： 其中 R 1 代表氨基或羟基； R 2 代表 2-羧基苯基；以及 X 1 和 X 2 分别代表氢原子或卤素原子（例如2-[6-（4′-羟基）苯氧基-3H-氧杂蒽-3-on-9-基]苯甲酸，或 2-[6-（4′-氨基）苯氧基-3H-氧杂蒽-3-on-9-基]苯甲酸）或其盐，它不与过亚硝酸盐的前体超氧化物或一氧化氮反应，而专门与过亚硝酸盐反应。
• METHODS AND COMPOSITIONS FOR DETECTING AND ISOLATING PHOSPHORYLATED MOLECULES USING HYDRATED METAL OXIDES
  申请人：PerkinElmer Health Sciences, Inc.

  公开号：EP1774276B1

  公开（公告）日：2017-06-07