3,5-二氯-2,4-二羟基苯甲酸 | 59119-79-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,5-二氯-2,4-二羟基苯甲酸
• 英文名称: 3,5-dichloro-2,4-dihydroxybenzoic acid
• 英文别名: 3,5-dichloro-2,4-dihydroxybenzoate；3,5-dichloro-2,4-dihydroxy-benzoic acid；3,5-Dichlor-2,4-dihydroxy-benzoesaeure；3.5-Dichlor-β-resorcylsaeure
• CAS: 59119-79-8
• 化学式: C₇H₄Cl₂O₄
• mdl: MFCD01684769
• 分子量: 223.012
• InChiKey: FCOWQHCAVUUGCS-UHFFFAOYSA-N

物化性质

• 熔点：
  222 °C (decomp)(Solv: water (7732-18-5))
• 沸点：
  346.7±42.0 °C(Predicted)
• 密度：
  1.817±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2918290000

反应信息

• 作为反应物：
  描述：

  3,5-二氯-2,4-二羟基苯甲酸 在 氯 作用下， 生成 2,2,4,4,6-pentachloro-5-cyclohexen-1,3-dione
  参考文献：
  名称：

  v. d. Stelt et al., Recueil des Travaux Chimiques des Pays-Bas, 1954, vol. 73, p. 1022,1026

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二羟基苯甲酸 在 盐酸 、 双氧水 、 溶剂黄146 作用下， 反应 2.0h， 生成 3,5-二氯-2,4-二羟基苯甲酸
  参考文献：
  名称：

  八氯荧光素：合成和光敏剂性能评估

  摘要：

  荧光图像引导的光动力疗法（PDT）受到了广泛的关注，因为它既提供了诊断信息，又提供了治疗信息。从理论上讲，荧光和光动力性能（单氧）可以追溯到相同的起源，即贾布隆斯基能量图。因此，设计具有平衡荧光和产生单线态氧的光敏剂至关重要。重原子效应（HAE）是设计高效光敏剂的有效方法，但会牺牲荧光。在此，通过分析众所周知的荧光团荧光素和光敏剂玫瑰红（RB），设计并合成了一种新型的光敏剂八氯荧光素（OCF）。在结构上，fl  = 0.628）。OCF的光动力性能通过光物理和光化学特性进行了表征。此外，用HeLa细胞进一步评估了OCF的图像引导PDT性能，证明荧光素的优雅重原子取代可能提供平衡荧光和单线态氧生成的有效方法。

  DOI：

  10.1016/j.dyepig.2019.107635

文献信息

• Nitrogen-containing fused ring compounds and use thereof
  申请人：Hirata Kazuyuki

  公开号：US20070010670A1

  公开（公告）日：2007-01-11

  A URAT1 activity inhibitor containing a nitrogen-containing fused ring compound represented by the following formula [1]: wherein each symbol is as defined in the description. The present invention is useful for the prophylaxis or treatment of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like.

  一种包含氮含有融合环化合物的URAT1活性抑制剂，其化学式如下所示[1]： 其中每个符号如描述中所定义。本发明对于预防或治疗显示尿酸参与的病理学，如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等方面具有用处。
• Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds
  申请人：Miki Kazuki

  公开号：US20080305169A1

  公开（公告）日：2008-12-11

  [Problems] The present invention provides pharmaceutical composition which is effective for the prophylaxis or treatment of pathology showing involvement of uric acid (hyperuricemia, gouty tophus, acute gout arthritis, chronic gout arthritis, gouty kidney, urolithiasis, renal function disorder, coronary arterial disease, ischemic heart disease and the like) and the like, and is superior in the time-course stability and dissolution property (disintegration property). [Solving Means] The pharmaceutical composition of the present invention is a pharmaceutical composition comprising a nitrogen-containing fused ring compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof, and one or more pharmaceutically acceptable additives, wherein the nitrogen-containing fused ring compound or a pharmaceutically acceptable salt thereof is not in contact with a basic additive: wherein each symbol is as described in the specification.

  本发明提供了一种药物组合物，用于预防或治疗涉及尿酸的病理（高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等），并且在时间稳定性和溶解性（分解性）方面具有优越性。 【解决手段】本发明的药物组合物是一种药物组合物，包括下式【1】所表示的含氮融合环化合物或其药学上可接受的盐，以及一种或多种药学上可接受的添加剂，其中所述的含氮融合环化合物或其药学上可接受的盐与碱性添加剂不接触： 其中每个符号如说明书中所述。
• Production Method of Nitrogen-Containing Fused Ring Compounds
  申请人：Hirata Kazuyuki

  公开号：US20080064871A1

  公开（公告）日：2008-03-13

  [Problems] The present invention provides a superior production method and a superior purification method of compounds effective for the treatment or prophylaxis of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like. [Means] A compound represented by the following formula [2] or a pharmaceutically acceptable salt thereof can be produced by reacting a compound represented by the following formula [3] or a salt thereof with a compound represented by the following formula [4], a salt thereof or a reactive derivative thereof. Moreover, crystallization of a compound represented by the formula [2] can be performed with industrially superior workability, and high quality crystals of a compound represented by the formula [2] can be obtained. wherein each symbol is as defined in the description.

  本发明提供了一种优越的化合物生产方法和优越的纯化方法，用于治疗或预防涉及尿酸的病理学，如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等。 [手段] 通过将以下式[3]所代表的化合物或其盐与以下式[4]所代表的化合物、其盐或其反应衍生物反应，可以制备以下式[2]所代表的化合物或其药用可接受的盐。此外，可以以工业上优越的可操作性进行以下式[2]所代表的化合物的结晶，并且可以获得以下式[2]所代表的化合物的高质量晶体。 其中每个符号如描述中所定义。
• <i>In Vitro</i> Transformation of Chlorinated Parabens by the Liver S9 Fraction: Kinetics, Metabolite Identification, and Aryl Hydrocarbon Receptor Agonist Activity
  作者：Masanori Terasaki、Takeshi Wada、Satoshi Nagashima、Masakazu Makino、Hiro Yasukawa

  DOI：10.1248/cpb.c15-00977

  日期：——

  We investigated the kinetics of in vitro transformation of a dichlorinated propyl paraben (2-propyl 3,5-dichloro-4-hydroxybenzoate; Cl2PP) by the rat liver S9 fraction and assessed the aryl hydrocarbon receptor (AhR) agonist activity of the metabolite products identified in HPLC and GC/MS analysis and by metabolite syntheses. The results indicated that the chlorination of Cl2PP reduced its degradation rate by approximately 40-fold. Two hydroxylated metabolite products showed AhR agonist activity of up to 39% of that of the parent Cl2PP when assessed in a yeast (YCM3) reporter gene assay. The determination of the metabolic properties of paraben bioaccumulation presented here provides further information on the value of risk assessments of chlorinated parabens as a means to ensure human health and environmental safety.

  我们研究了二氯丙酯（2-丙基-3,5-二氯-4-羟基苯甲酸；Cl2PP）在大鼠肝脏S9组分体外转化中的动力学过程，并通过高效液相色谱（HPLC）和气相色谱/质谱（GC/MS）分析以及代谢物合成，评估了鉴定出的代谢物的芳香烃受体（AhR）激动活性。结果表明，氯化作用使得Cl2PP的降解速率降低了约40倍。两种羟基化代谢物在酵母（YCM3）报告基因分析中展现出高达母体Cl2PP 39%的AhR激动活性。此处对对羟基苯甲酸酯生物积累的代谢特性的测定，为进一步评估氯化对羟基苯甲酸酯在确保人类健康和环境安全方面的风险价值提供了更多信息。
• NUCLEIC ACID AMPLIFICATION AND SEQUENCING BY SYNTHESIS WITH FLUOROGENIC NUCLEOTIDES
  申请人：Xie Xiaoliang Sunney

  公开号：US20130053252A1

  公开（公告）日：2013-02-28

  In general, the invention features methods and systems for sequencing of nucleic acids based on the measurement of the incorporation of fluorogenic nucleotides in microreactors. The invention provides numerous advantages over previous systems such as unambiguous determination of sequence, fast cycle time, long read lengths, low overall cost of reagents, low instrument cost, and high throughput. The invention also features methods and kits for nucleic acid amplification. The amplification and sequencing aspects of the invention may or may not be employed in conjunction with one another. The invention also features fluorogenic nucleotides that may be used in the sequencing methods of the invention.

  一般来说，该发明涉及基于在微反应器中测量荧光核苷酸的结合而进行核酸测序的方法和系统。该发明相比先前系统具有诸多优势，如序列的明确确定、快速循环时间、长读取长度、低试剂总成本、低仪器成本和高吞吐量。该发明还涉及核酸扩增的方法和试剂盒。该发明的扩增和测序方面可以单独或结合使用。该发明还涉及可用于该测序方法的荧光核苷酸。