3-氯-4-苯氧基苯胺 | 5335-29-5

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 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-4-苯氧基苯胺
• 英文名称: 3-chloro-4-phenoxyaniline
• 英文别名: 4-amino-2-chlorophenyl phenyl ether
• CAS: 5335-29-5
• 化学式: C₁₂H₁₀ClNO
• 分子量: 219.671
• InChiKey: KFJFBKCMYYAWHI-UHFFFAOYSA-N

物化性质

• 沸点：
  335.9±32.0 °C(Predicted)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922299090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H317,H319,H335
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  3-氯-4-苯氧基苯胺 生成 3-Hydroxy-4-methoxy-3'-chloro-4'-phenoxypicolinanilide
  参考文献：
  名称：

  EP1134214

  摘要：

  公开号：
• 作为产物：
  描述：

  1-溴-2-氯-4-硝基苯 在 caesium carbonate 、 tin(ll) chloride 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 3-氯-4-苯氧基苯胺
  参考文献：
  名称：

  Discovery and Structure–Activity Relationships of Modified Salicylanilides as Cell Permeable Inhibitors of Poly(ADP-ribose) Glycohydrolase (PARG)

  摘要：

  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.

  DOI：

  10.1021/jm200325s

文献信息

• 吲哚类化合物及其制备方法、药物组合物和用途
  申请人：中国医学科学院药物研究所

  公开号：CN110483366B

  公开（公告）日：2022-09-16

  本发明公开了一类吲哚类化合物及其制备方法、药物组合物和用途，具体而言，本发明涉及通式I所示的吲哚类衍生物及其可药用盐，及其制备方法，含有一个或多个该类化合物的组合物，和该类化合物在制备、预防和/或治疗与IDO1和/或TDO相关的疾病药物中的用途。
• [EN] ANTIVIRAL TRIAZOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE TRIAZOLE ANTIVIRAUX
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014114573A1

  公开（公告）日：2014-07-31

  The present invention discloses compounds of Formula I: wherein the variables in Formula I are defined as described herein. Also disclosed are pharmaceutical compositions containing such compounds and methods for using the compounds of Formula I in the prevention or treatment of HCV infection.

  本发明公开了式I化合物：式中，式I中的变量定义如所述。还公开了包含这种化合物的药物组合物以及使用式I化合物预防或治疗HCV感染的方法。
• Structural Development of Salicylanilide‐Based SPAK Inhibitors as Candidate Antihypertensive Agents
  作者：Shinya Fujii、Eriko Kikuchi、Honoka Suzuyama、Yuko Watanabe、Mari Ishigami‐Yuasa、Hiroyuki Masuno、Takayasu Mori、Kiyoshi Isobe、Shinichi Uchida、Hiroyuki Kagechika

  DOI：10.1002/cmdc.202100273

  日期：2021.9.16

  proline-alanine-rich protein kinase (SPAK)-NaCl cotransporter (NCC) signal cascade as a potential target, and we previously developed a screening system for inhibitors of WNK-OSR1/SPAK-NCC signaling. Herein we used this system to examine the structure-activity relationship (SAR) of salicylanilide derivatives as SPAK kinase inhibitors. Structural design and development based on our previous hit compound, aryloxybenzanilide

  高血压是药物发现的重要目标。我们专注于无赖氨酸激酶 (WNK)-氧化应激反应 1 (OSR1) 和 STE20/SPS1 相关的富含脯氨酸-丙氨酸蛋白激酶 (SPAK)-NaCl 协同转运蛋白 (NCC) 信号级联作为潜在的目标，我们之前开发了一种筛选系统，用于 WNK-OSR1/SPAK-NCC 信号传导抑制剂。在这里，我们使用该系统来检查水杨酰苯胺衍生物作为 SPAK 激酶抑制剂的构效关系 (SAR)。基于我们之前的热门化合物芳氧基苯甲酰苯胺衍生物2和兽用驱虫药 clOSa href=https://www.molaid.com/MS_77838 target="_blank">SAntel ( 3 ) 的结构设计和开发导致发现化合物10a作为一种有效的、毒性降低的 SPAK 抑制剂。化合物10a降低了体内小鼠肾脏中 NCC 的磷酸化水平，并且似乎是一类有前途的新型抗高血压药物的先导化合物。
• Aniline derivatives
  申请人：Zeneca Limited

  公开号：US05821246A1

  公开（公告）日：1998-10-13

  The invention concerns aniline derivatives of formula I ##STR1## wherein m is 1, 2 or 3, n is 0, 1, 2 or 3, Q is phenyl or naphthyl or a 5- or 6-membered heteroaryl moiety containing 1, 2 or 3 heteroatoms selected from oxygen, nitrogen and sulfur, and X, R.sup.1 and R.sup.2 are defined in the claims; or pharmaceutical compositions containing them, and the methods of using the compounds as tyrosine kinase inhibitors and for the treatment of proliferative diseases such as cancer.

  本发明涉及公式I的苯胺衍生物：##STR1##，其中m为1、2或3，n为0、1、2或3，Q为苯基或萘基或含氧、氮、硫的1、2或3个杂原子的5或6元杂芳基基团，X、R1和R2的定义见权利要求；或包含它们的药物组合物，以及使用该化合物作为酪氨酸激酶抑制剂和治疗诸如癌症的增殖性疾病的方法。
• [EN] INHIBITORS OF BRUTON'S TYROSINE KINASE<br/>[FR] INHIBITEURS DE LA TYROSINE KINASE DE BRUTON
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015086636A1

  公开（公告）日：2015-06-18

  This application discloses compounds according to generic Formula (I): wherein all variables are defined as described herein, which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are useful for the treatment of oncological, auto-immune, and inflammatory diseases caused by aberrant B-cell activation. Also disclosed are compositions containing compounds of Formula I and at least one carrier, diluent or excipient.

  该应用程序根据通用公式（I）披露化合物：其中所有变量的定义如本文所述，这些化合物抑制Btk。本文披露的化合物对调节Btk的活性并治疗与过度Btk活性相关的疾病有用。这些化合物对于治疗由异常B细胞活化引起的肿瘤学、自身免疫和炎症性疾病是有用的。还披露了含有公式I化合物和至少一种载体、稀释剂或赋形剂的组合物。