3-氯-2-羟基-苯甲酰氯 | 93820-08-7

• 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-氯-2-羟基-苯甲酰氯
• 英文名称: 3-chloro-2-hydroxybenzoyl chloride
• 英文别名: 3-Chlor-2-hydroxy-benzoylchlorid
• CAS: 93820-08-7
• 化学式: C₇H₄Cl₂O₂
• 分子量: 191.014
• InChiKey: WYNNSVYZZSTMJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2918290000

反应信息

• 作为反应物：
  描述：

  3-氯-2-羟基-苯甲酰氯 在 ammonium hydroxide 作用下， 生成 3-氯-2-羟基-苯甲酸酰胺
  参考文献：
  名称：

  Hirwe; Rana; Gavankar, Proceedings - Indian Academy of Sciences, Section A, 1938, vol. 8, p. 208,212, 213

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氯-2-羟基苯甲酸钠 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 2.0h， 以94.5%的产率得到3-氯-2-羟基-苯甲酰氯
  参考文献：
  名称：

  Shakirov; Teplov; Bikkulov, Journal of applied chemistry of the USSR, 1986, vol. 59, # 2 pt 2, p. 423 - 425

  摘要：

  DOI：

文献信息

• Ortho-substituted aromatic ether compounds and their use in
  申请人：Zeneca Limited

  公开号：US05965741A1

  公开（公告）日：1999-10-12

  The invention provides compounds of formula I: ##STR1## wherein A, B, D, X, R.sup.1, and R.sup.3 have any of the values defined in the specification, as well as N-oxides thereof, S-oxides thereof, pharmaceutically acceptable salts thereof, and in vivo hydrolizable esters and amides thereof, that are useful to relieve pain. The invention also provides pharmaceutical compositions as well as synthetic and therapeutic methods relating to such compounds.

  该发明提供了以下式I的化合物：##STR1## 其中A、B、D、X、R.sup.1和R.sup.3具有规范中定义的任何值，以及它们的N-氧化物、S-氧化物、药用盐以及体内可水解的酯和酰胺，这些化合物对缓解疼痛有用。该发明还提供了与这些化合物相关的药物组合物，以及合成和治疗方法。
• Discovery and Structure–Activity Relationships of Modified Salicylanilides as Cell Permeable Inhibitors of Poly(ADP-ribose) Glycohydrolase (PARG)
  作者：Jamin D. Steffen、Donna L. Coyle、Komath Damodaran、Paul Beroza、Myron K. Jacobson

  DOI：10.1021/jm200325s

  日期：2011.8.11

  The metabolism of poly(ADP-ribose) (PAR) in response to DNA strand breaks, which involves the concerted activities of poly(ADP-ribose) polymerases (PARPs) and poly(ADP-ribose) glycohydrolase (PARG), modulates cell recovery or cell death depending upon the level of DNA damage. While PARP inhibitors show high promise in clinical trials because of their low toxicity and selectivity for BRCA related cancers, evaluation of the therapeutic potential of PARG is limited by the lack of well-validated cell permeable inhibitors. In this study, target-related affinity profiling (TRAP), an alternative to high-throughput screening, was used to identify a number of druglike compounds from several chemical classes that demonstrated PARG inhibition in the low-micromolar range. A number of analogues of one of the most active chemotypes were synthesized to explore the structure activity relationship (SAR) for that series. This led to the discovery of a putative pharmacophore for PARG inhibition that contains a modified salicylanilide structure. Interestingly, these compounds also inhibit PARP-1, indicating strong homology in the active sites of PARG and PARP-1 and raising a new challenge for development of PARG specific inhibitors. The cellular activity of a lead inhibitor was demonstrated by the inhibition of both PARP and PARG activity in squamous cell carcinoma cells, although preferential inhibition of PARG relative to PARP was observed. The ability of inhibitors to modulate PAR metabolism via simultaneous effects on PARPs and PARG may represent a new approach for therapeutic development.
• Synthesis and structure activity relationships of novel small molecule cathepsin D inhibitors
  作者：Jacques Dumas、David Brittelli、Jinshan Chen、Brian Dixon、Holia Hatoum-Mokdad、Gerhard König、Robert Sibley、James Witowsky、Stephen Wong

  DOI：10.1016/s0960-894x(99)00433-3

  日期：1999.9

  Cathepsin D, a lysosomal aspartyl protease, has been implicated in the pathology of Alzheimer's disease as well as breast and ovarian cancer. A weakly active cathepsin D inhibitor was identified by high throughput screening. Subsequent optimization led to the discovery of a new class of small molecule inhibitors of this enzyme, culminating with the sulfonamide 13 (IC50 = 250 nM), (C) 1999 Elsevier Science Ltd. All rights reserved.
• Anschuetz,R., Chemische Berichte, 1897, vol. 30, p. 222
  作者：Anschuetz,R.

  DOI：——

  日期：——
• Anschuetz,R.; Anspach, Justus Liebigs Annalen der Chemie, 1906, vol. 346, p. 312
  作者：Anschuetz,R.、Anspach

  DOI：——

  日期：——