2-(1H-1,2,4-三唑-1-基)异烟酸 | 263270-38-8

• 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: 2-(1H-1,2,4-三唑-1-基)异烟酸
• 英文名称: 2-(1,2,4-triazol-1-yl)-4-picolinic acid
• 英文别名: 2-(1,2,4-triazol-1-yl)pyridine-4-carboxylic acid；2-(1H-1,2,4-triazol-1-yl)pyridine-4-carboxylic acid
• CAS: 263270-38-8
• 化学式: C₈H₆N₄O₂
• mdl: MFCD11128547
• 分子量: 190.161
• InChiKey: NTTPOXNTFBISRL-UHFFFAOYSA-N

物化性质

• 沸点：
  588.9±60.0 °C(Predicted)
• 密度：
  1.53±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 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：
  80.9
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332

反应信息

• 作为反应物：
  描述：

  2-(1H-1,2,4-三唑-1-基)异烟酸 、 8-chloro-2-(methoxymethyl)-3,4-dihydro-2H-1,4-benzoxazine 在 氯化亚砜 、 三乙胺 作用下， 以80 mg的产率得到[8-chloro-2,3-dihydro-2-(methoxymethyl)-4H-1,4-benzoxazin-4-yl][2-(1H-1,2,4-triazol-1-yl)-4-pyridinyl]methanone
  参考文献：
  名称：

  [EN] HERBICIDAL BENZOXAZINES
  [FR] BENZOXAZINES HERBICIDES

  摘要：

  Disclosed are compounds of Formula (I), including all stereoisomers,N-oxides, and salts thereof, agricultural compositions containing them and their use as herbicides A is a 5- or 6-membered heterocyclic ring, containing ring members selected from carbon atoms and up to 4 heteroatoms independently selected from up to 2 O, up to 2 S and up to 4 N atoms, one or two carbon or sulfur ring members of the heterocycle can optionally be in the oxidized form of a carbonyl, sulfonyl, sulfinyl moiety, said ring bound to the remainder of Formula (1) through a carbon atom or a heteroatom, and optionally substituted with 1 to 4 R1; and R1a, R1b, R2, R3a, R3b, R4a,R4b, X1, X2, n, p and q are as defined in the disclosure.

  公开号：

  WO2024015425A1
• 作为产物：
  描述：

  1H-1,2,4-三唑 、 2-溴-4-甲酸乙酯吡啶 在 copper(l) iodide 、 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以3 g的产率得到2-(1H-1,2,4-三唑-1-基)异烟酸
  参考文献：
  名称：

  [EN] HERBICIDAL BENZOXAZINES
  [FR] BENZOXAZINES HERBICIDES

  摘要：

  Disclosed are compounds of Formula (I), including all stereoisomers,N-oxides, and salts thereof, agricultural compositions containing them and their use as herbicides A is a 5- or 6-membered heterocyclic ring, containing ring members selected from carbon atoms and up to 4 heteroatoms independently selected from up to 2 O, up to 2 S and up to 4 N atoms, one or two carbon or sulfur ring members of the heterocycle can optionally be in the oxidized form of a carbonyl, sulfonyl, sulfinyl moiety, said ring bound to the remainder of Formula (1) through a carbon atom or a heteroatom, and optionally substituted with 1 to 4 R1; and R1a, R1b, R2, R3a, R3b, R4a,R4b, X1, X2, n, p and q are as defined in the disclosure.

  公开号：

  WO2024015425A1

文献信息

• Synthesis, DNA binding, apoptosis and molecular docking of a Mn(II) complex constructed by 2-(1,2,4-Triazol-1-yl)-4-picolinic acid
  作者：Yong Li、Xiaoxi Ji、Shuangyan Wu、Ying Zhang、Mingchang Zhu、Enjun Gao

  DOI：10.1016/j.inoche.2021.108946

  日期：2021.11

  metal–organic complex (MOC), Mn(L)2·4H2O is successfully designed and synthesized by 2-(1,2,4-Triazol-1-yl)-4-picolinic acid ligand and Mn(NO3)2·4H2O in the mixed solvent of methanol and water. The complex was characterized by single-crystal X-ray diffraction, element analysis, Powder X-ray diffraction(PXRD). The binding constant between complex and DNA is 9.3 × 104, indicating that the complex and fish

  一种新的金属-有机络合物（MOC），锰（L）2 ·4H 2 O的成功设计并合成由2-（1,2,4-三唑-1-基）-4-吡啶甲酸配体和Mn（NO 3 ) 2 ·4H 2 O 在甲醇和水的混合溶剂中。通过单晶X射线衍射、元素分析、粉末X射线衍射(PXRD)对配合物进行了表征。复合物与 DNA 的结合常数为 9.3 × 10 4，表明该复合物和鱼精 DNA 可以很好地结合。粘度实验证明复合物以嵌入模式与 DNA 相互作用。凋亡和倒置显微镜实验表明该复合物对癌细胞有明显的凋亡作用。总的来说，合成的Mn(II)配合物对癌症的治疗具有重要意义。
• BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS
  申请人：AstraZeneca AB

  公开号：EP1115707A1

  公开（公告）日：2001-07-18
• US6455520B1
  申请人：——

  公开号：US6455520B1

  公开（公告）日：2002-09-24
• [EN] BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS<br/>[FR] DERIVES DE BENZAMIDE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE CYTOKINES
  申请人：ZENECA LTD

  公开号：WO2000018738A1

  公开（公告）日：2000-04-06

  The invention concerns amide derivatives of formula (I) wherein R3 is (1-6C)alkyl or halogeno; m is 0-3, p is 0-2 and q is 0-4; each of R?1 and R2¿ is a group such as hydroxy, halogeno, trifluoromethyl and cyano; R4 is a basic group such as amino, (1-6C)alkylamino, di-[(1-6C)alkyl]amino, di-[(1-6C)alkyl]amino-(1-6C)alkyl, di-[(1-6C)alkyl]amino-(2-6C)alkoxy, heteroaryl, heteroaryloxy, heteroaryl-(1-6C)alkoxy, heterocyclyl, heterocyclyloxy and heterocyclyl-(1-6C)alkoxy; and Q2 is a group such as heteroaryl, heteroaryloxy or heteroaryl-(1-6C)alkoxy which is optionally substituted; or pharmaceutically-acceptable salts or in-vivo-cleavable esters thereof; processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines.