4-[(2-氯-1,3-噻唑-5-基)甲氧基]苯甲醛 | 338393-48-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-[(2-氯-1,3-噻唑-5-基)甲氧基]苯甲醛
• 英文名称: 4-((2-chlorothiazol-5-yl)methoxy)benzaldehyde
• 英文别名: 4-(2-chlorothiazol-5-yl)methoxybenzaldehyde；4-[(2-Chloro-1,3-thiazol-5-yl)methoxy]benzaldehyde
• CAS: 338393-48-9
• 化学式: C₁₁H₈ClNO₂S
• 分子量: 253.709
• InChiKey: BNYUJVFLCKATAC-UHFFFAOYSA-N

物化性质

• 熔点：
  107-108°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934100090

反应信息

• 作为反应物：
  描述：

  4-[(2-氯-1,3-噻唑-5-基)甲氧基]苯甲醛 在 sodium tetrahydroborate 、 氯化亚砜 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 15.5h， 生成 5-(4-chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde O-(4-((2-chlorothiazol-5-yl)methoxy)benzyl) oxime
  参考文献：
  名称：

  The thiazoylmethoxy modification on pyrazole oximes: Synthesis and insecticidal biological evaluation beyond acaricidal activity

  摘要：

  DOI：

  10.1016/j.cclet.2014.06.011
• 作为产物：
  描述：

  对羟基苯甲醛 、 2-氯-5-氯甲基噻唑 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以95.7%的产率得到4-[(2-氯-1,3-噻唑-5-基)甲氧基]苯甲醛
  参考文献：
  名称：

  Synthesis and herbicidal activities of 2-cyano-3-benzylaminoacrylates containing thiazole moiety

  摘要：

  Two series of novel 2-cyano-3-benzylaminoacrylates containing long-chain thiazole ring moiety were synthesized as herbicidal inhibitors of photosystem II (PS II) electron transportation. Their structures were confirmed by (1)H NMR and elemental analysis. The bioassay showed that these compounds retain high herbicidal activities and especially compounds 13a and 13h have excellent herbicidal activities. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.027

文献信息

• [EN] USE OF AND SOME NOVEL IMIDAZOPYRIDINES<br/>[FR] NOUVELLES IMIDAZOPYRIDINES ET LEUR UTILISATION
  申请人：ASTRAZENECA AB

  公开号：WO2004016611A1

  公开（公告）日：2004-02-26

  The use of compounds of formula (I) wherein R1, R3, R10, m and Ar are as defined in the Specification and pharmaceutically acceptable salts thereof in the manufacture of a medicament for the treatment or prophylaxis of diseases or conditions in which inhibition of kinase Itk activity is beneficial is disclosed. Certain novel compounds of formula (I), together with processes for their preparation, compositions containing them and their use in therapy are also disclosed.

  公开了在制备药物用于治疗或预防抑制激酶Itk活性有益的疾病或症状中，使用式(I)中R1、R3、R10、m和Ar所定义的化合物及其药学上可接受的盐。还公开了式(I)的某些新化合物，以及它们的制备方法、含有它们的组合物和它们在治疗中的用途。
• Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic
  作者：Xiongyu Wu、Per Öhrngren、Jenny K. Ekegren、Johan Unge、Torsten Unge、Hans Wallberg、Bertil Samuelsson、Anders Hallberg、Mats Larhed

  DOI：10.1021/jm070680h

  日期：2008.2.1

  A new generation of HIV-1 protease inhibitors encompassing a tertiary-alcohol-based transition-state mimic has been developed. By elongation of the core structure of recently reported inhibitors with two carbon atoms and by varying the P1' group of the compounds, efficient inhibitors were obtained with Ki down to 2.3 nM and EC50 down to 0.17 microM. Two inhibitor-enzyme X-ray structures are reported

  已经开发了包含基于叔醇的过渡态模拟物的新一代HIV-1蛋白酶抑制剂。通过延长最近报道的具有两个碳原子的抑制剂的核心结构，并通过改变化合物的P1'基团，可获得有效的抑制剂，其中Ki降至2.3 nM，EC50降至0.17 microM。报道了两种抑制剂-酶的X射线结构。
• Use of and some novel imidazopyridines
  申请人：Johansson Henrik

  公开号：US20050261333A1

  公开（公告）日：2005-11-24

  The use of compounds of formula (I) wherein R 1 , R 3 , R 10 , m and Ar are as defined in the Specification and pharmaceutically acceptable salts thereof in the manufacture of a medicament for the treatment or prophylaxis of diseases or conditions in which inhibition of kinase Itk activity is beneficial is disclosed. Certain novel compounds of formula (I), together with processes for their preparation, compositions containing them and their use in therapy are also disclosed.

  本发明揭示了在制造用于治疗或预防抑制酪氨酸激酶Itk活性对疾病或病况有益的药物时，使用公式（I）中R1、R3、R10、m和Ar定义的化合物及其药学上可接受的盐。本发明还揭示了某些新型公式（I）化合物及其制备方法、含有它们的组合物以及它们在治疗中的应用。
• Synthesis and herbicidal activities of 2-cyano-3-benzylaminoacrylates containing thiazole moiety
  作者：Tingting Wang、Guifang Bing、Xin Zhang、Zhenfang Qin、Haibo Yu、Xue Qin、Hong Dai、Wenke Miao、Shanshan Wu、Jianxin Fang

  DOI：10.1016/j.bmcl.2010.04.027

  日期：2010.6

  Two series of novel 2-cyano-3-benzylaminoacrylates containing long-chain thiazole ring moiety were synthesized as herbicidal inhibitors of photosystem II (PS II) electron transportation. Their structures were confirmed by (1)H NMR and elemental analysis. The bioassay showed that these compounds retain high herbicidal activities and especially compounds 13a and 13h have excellent herbicidal activities. (C) 2010 Elsevier Ltd. All rights reserved.
• USE OF AND SOME NOVEL IMIDAZOPYRIDINES
  申请人：AstraZeneca AB

  公开号：EP1539759A1

  公开（公告）日：2005-06-15