4-(4-1,2,3-噻二唑yl)吡啶 | 102253-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-(4-1,2,3-噻二唑yl)吡啶
• 英文名称: 4-(4-pyridyl) 1,2,3-thiadiazole
• 英文别名: 4-(1,2,3-Thiadiazol-4-yl)pyridine；4-pyridin-4-ylthiadiazole
• CAS: 102253-71-4
• 化学式: C₇H₅N₃S
• mdl: MFCD00793696
• 分子量: 163.203
• InChiKey: CBBNSZNUEUONCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-(4-1,2,3-噻二唑yl)吡啶 在 sodium hydride 作用下， 以 乙腈 为溶剂， 以79%的产率得到2,6-bis(4-pyridyl)-1,4-dithiafulvene
  参考文献：
  名称：

  Intramolecular Charge-Transfer Polymers between Dithiafulvene and Pyridinium Units: Conjugative Effect through Saturated Polymethylene Chains

  摘要：

  制备了含有分子内电荷转移（ICT）结构（吡啶铵-二硫富韦-吡啶铵）在主链中的新聚合物。聚合物的紫外-可见光测量表明，饱和聚甲烯链中发生共轭效应，并且随着间隔聚甲烯链长度的减少，这种效应得到增强。聚维烯类在其紫外-可见光测量中显示出小但相似的共轭性。1,1′-(1,2-乙烯基)双(吡啶铵)的PM3计算表明，乙烯单元的σ*与吡啶部分的π*之间的相互作用导致较低的LUMO，从而提供了共轭效应。PM3计算和紫外-可见光结果表明，将ICT部分并入聚合框架中，通过聚甲烯链增加了共轭效应。还研究了ICT聚合物的氧化还原和导电性质。这两项研究提供了一些关于聚合物共轭效应的启示。

  DOI：

  10.1246/bcsj.75.2673
• 作为产物：
  描述：

  4-乙酰吡啶 在 氯化亚砜 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 4-(4-1,2,3-噻二唑yl)吡啶
  参考文献：
  名称：

  Determination of the transglycosidation activity of NAD+ glycohydrolases with 4-(2′-alkyl-sulfanyl-vinyl)-pyridine derivatives generating chromophoric NAD+ analogs

  摘要：

  The base exchange of nicotinamide with pyridine derivatives 1a-5a, catalyzed by pig brain NAD(+) glycohydrolase and ADP-ribosyl cyclase from Aplysia californica, generated the corresponding NAD(+) analogs 1b-5b. These analogs exhibited a high absorbance band in the visible region. The transglycosidation rate was determined by monitoring the absorbance increase. Among the tested derivatives, (E)-4-[2-(methylsulfanyl)-vinyl]-pyridine 1a was the most suitable substrate for pig brain NAD(+) glycohydrolase while 4-[1,3]-dithiolan-2-ylidenemethyl-pyridine 3a was the most efficient for ADP-ribosyl cyclase from A. californica. (C) 2003 Elsevier Science (USA). All rights reserved.

  DOI：

  10.1016/s0045-2068(03)00041-5

文献信息

• [EN] KETOLIDE COMPOUNDS<br/>[FR] COMPOSÉS CÉTOLIDES
  申请人：WOCKHARDT LTD

  公开号：WO2012076989A1

  公开（公告）日：2012-06-14

  The invention relates to ketolide compounds of Formula (I) and their pharmaceutically acceptable salts, solvates, hydrates, polymorphs and stereoisomers having antimicrobial activity. The invention also provides pharmaceutical compositions containing the compounds of invention and methods of treating or preventing microbial infections with the compounds of invention, wherein, T is -C*H(R1)-P-Q; R1 is hydrogen; unsubstituted or substituted lower alkyl, cycloalkyl or aryl; P is heteroaryl ring; Q is unsubstituted or substituted aryl or heteroaryl ring; and P is attached to Q via carbon-carbon link; and R3 is hydrogen or fluorine, With the provision that when R1 is hydrogen, R3 is fluorine.

  该发明涉及具有抗微生物活性的Formula (I)的酮酰胺化合物及其药用可接受的盐、溶剂化合物、水合物、多型和立体异构体。该发明还提供含有该发明化合物的药物组合物以及使用该发明化合物治疗或预防微生物感染的方法，其中，T为-C*H(R1)-P-Q；R1为氢；未取代或取代的较低烷基、环烷基或芳基；P为杂环芳基环；Q为未取代或取代的芳基或杂环芳基环；P通过碳-碳键连接到Q；R3为氢或氟，但当R1为氢时，R3为氟。
• [EN] HERBICIDAL COMPOUNDS<br/>[FR] COMPOSÉS HERBICIDES
  申请人：SYNGENTA CROP PROTECTION AG

  公开号：WO2020161163A1

  公开（公告）日：2020-08-13

  Compounds of the formula (I) wherein the substituents are as defined in claim 1, useful as a pesticides, especially as herbicides.

  化合物的结构式（I），其中取代基如权利要求1中定义的那样，可用作农药，特别是除草剂。
• Cephalosporin derivatives and salts thereof
  申请人：Daiichi Seiyaku Co., Ltd.

  公开号：US04833242A1

  公开（公告）日：1989-05-23

  Novel cephalosporin derivatives and salts thereof are disclosed. These compounds exhibit excellent antimicrobial activity against a wide variety of Gram-negative and Gram-positive bacteria and also have other excellent characteristics as a medicine such as stability and low toxicity. These compounds can be administered in a form of subcutaneous, intravenous or intramuscular injections.

  本发明揭示了新型头孢菌素衍生物及其盐。这些化合物对广泛的革兰氏阴性和革兰氏阳性细菌具有优异的抗菌活性，并具有其他优异的药物特性，如稳定性和低毒性。这些化合物可以以皮下、静脉或肌肉注射的形式给予。
• KETOLIDE COMPOUNDS
  申请人：Trivedi Bharat

  公开号：US20140005133A1

  公开（公告）日：2014-01-02

  The invention relates to ketolide compounds of Formula (I) and their pharmaceutically acceptable salts, solvates, hydrates, polymorphs and stereoisomers having antimicrobial activity. The invention also provides pharmaceutical compositions containing the compounds of invention and methods of treating or preventing microbial infections with the compounds of invention, wherein, T is —C*H(R 1 )—P-Q; R 1 is hydrogen; unsubstituted or substituted lower alkyl, cycloalkyl or aryl; P is heteroaryl ring; Q is unsubstituted or substituted aryl or heteroaryl ring; and P is attached to Q via carbon-carbon link; and R 3 is hydrogen or fluorine, With the provision that when R 1 is hydrogen, R 3 is fluorine.

  本发明涉及式（I）的酮烯类化合物及其药学上可接受的盐、溶剂化物、水合物、多晶形和立体异构体，具有抗微生物活性。本发明还提供了含有本发明化合物的制药组合物以及使用本发明化合物治疗或预防微生物感染的方法，其中，T为—C*H（R1）—P-Q; R1为氢; 未取代或取代的低碳基、环烷基或芳基; P为杂环芳基环; Q为未取代或取代的芳基或杂环芳基环; P通过碳-碳键连接到Q; R3为氢或氟，但当R1为氢时，R3为氟。
• Synthesis of γ-Thiapyrones by Diels–Alder/Retro-Diels–Alder Reaction of α-Pyrones with 5-<i>H</i>-1,2,3-Thiadiazoles
  作者：Mengxia Feng、Bin Huang、Huanfeng Jiang、Liangbin Huang

  DOI：10.1021/acs.joc.3c02889

  日期：2024.4.19

  The efficient synthesis of γ-thiapyrones by a base-mediated Diels–Alder/retro-Diels–Alder reaction of α-pyrones with 5-H-1,2,3-thiadiazoles is reported herein. Thioketenes in situ generated from thiadiazoles as electron-poor dienophile and electron-rich 4-hydroxy-2-pyrones as dienes are conjunctively transformed into a series of γ-thiapyrones with broad functional group compatibility in good to excellent

  本文报道了通过 α-吡喃酮与 5- H -1,2,3-噻二唑的碱介导的 Diels-Alder/retro-Diels-Alder 反应有效合成 γ-噻喃酮。由作为缺电子亲二烯体的噻二唑和作为二烯的富电子 4-羟基-2-吡喃酮原位生成的硫烯酮被联合转化为一系列具有广泛官能团相容性的 γ-噻喃酮，产率良好到优异（35 个例子，67%）平均产量）。