imidazolide | 36954-03-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: imidazolide
• 英文别名: Imidazol-anion；imidazol-3-ide
• CAS: 36954-03-7
• 化学式: C₃H₃N₂
• 分子量: 67.0702
• InChiKey: JBFYUZGYRGXSFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  13.9
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  (CO)5Cr=W(SMe)Ph 、 imidazolide 在 sodium perchlorate 作用下， 以 甲醇 为溶剂， 生成 [(CO)5W(C(imidazolyl)Ph)]
  参考文献：
  名称：

  Transition metal carbene chemistry7: Nucleophilic substitution reactions of imidazolide and benzimidazolide ions with Fischer carbene complexes in MeOH

  摘要：

  Rate constants for the nucleophilic substitution reactions of imidazolide (IZ(-)) and benzimidazolide (BIZ(-)) ions with 4-Cr-Z and 5 in MeOH at 25 degrees C are reported and Hammett rho values are evaluated to be 1.50 +/- 0.10 and 1.51 +/- 0.08 for 4-Cr-Z-IZ(-) and 4-Cr-Z-BIZ(-) reactions, respectively. The comparable reactivity and also almost identical rho values for these reactions indicate that there is no difference in sensitivity towards electronic effects due to slightly bigger size of BIZ(-) over IZ(-) and bond formation at the transition states are equally progressed. The higher rho values for these reactions compared to those with a wide range of nucleophiles may arise mainly due to lower polarity of the solvent MeOH which enhances the requirement for stabilization of the negative charge in the transition state by the Z-substituents. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.02.047
• 作为产物：
  描述：

  咪唑 、 乙酸盐 -173.1~396.9 ℃ 、319.97 Pa 条件下， 生成 imidazolide 、 溶剂黄146
  参考文献：
  名称：

  Models for strong interactions in proteins and enzymes. 1. Enhanced acidities of principal biological hydrogen donors

  摘要：

  DOI：

  10.1021/ja00218a013
• 作为试剂：
  描述：

  2-[4-(N-acetyl-DL-prolylamino)phenyl]-4-hydroxy-5-pyrimidine carboxylic acid 、 N,N'-羰基二咪唑 在 四氢呋喃 、 乙醚 、 imidazolide 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 生成 2-[4-(N-Acetyl-DL-prolylamino)phenyl]-4-hydroxy-5-pyrimidine carboxylic acid imidazolide
  参考文献：
  名称：

  Novel antibacterial amide compounds and process means for producing the

  摘要：

  本发明提供了一种具有广谱抗菌作用的N-[2-[(acylaminoacylamino或aminoacylamino)苯基]-4-羟基-5-嘧啶基甲酰基]青霉素化合物的新型有机酰胺化合物，其方法为(a)将适当青霉素的自由氨基酸或其酸盐或硅化衍生物或其配合物与相应的N-2-[(acylaminoacylamino或aminoacylamino)苯基]-4-羟基-5-嘧啶羧酸的反应衍生物反应；或(b)将6-氨基青霉烷酸或相关化合物的自由氨基酸或其酸盐或硅化衍生物与相应的D-N-[2-[(acylaminoacylamino或aminoacylamino)苯基]-4-羟基-5-嘧啶基甲酰基]-2-取代甘氨酸的反应衍生物反应。还公开了含有所述化合物的药物组合物以及使用所述组合物治疗感染的方法。

  公开号：

  US04267180A1

文献信息

• Combatting AMR: A molecular approach to the discovery of potent and non-toxic rhenium complexes active against C. albicans-MRSA co-infection
  作者：Sara Nasiri Sovari、Natasa Radakovic、Paul Roch、Aurélien Crochet、Aleksandar Pavic、Fabio Zobi

  DOI：10.1016/j.ejmech.2021.113858

  日期：2021.12

  compounds with non-classical mechanisms of action. Metal complexes are an untapped source of antibiotic potential owing to unique modes of action and a wider range of three-dimensional geometries as compared to purely organic compounds. In this study, we present the antimicrobial and antifungal efficacy of a family of rhenium tricarbonyl diimine complexes with varying ligands, charge and lipophilicity. Our

  抗菌素耐药性 (AMR) 是对公共卫生的主要新兴威胁，在成功预防和治疗持续性疾病方面造成严重问题。尽管问题不断升级，但缺乏经济激励已导致大型制药公司中断其抗生素药物发现计划。世界卫生组织 (WHO) 呼吁在传统开发途径之外寻求新的解决方案，重点是具有非经典作用机制的新型活性化合物。与纯有机化合物相比，金属配合物是一种尚未开发的抗生素潜力来源，因为它具有独特的作用模式和更广泛的三维几何形状。在这项研究中，我们展示了具有不同配体的铼三羰基二亚胺配合物家族的抗菌和抗真菌功效，电荷和亲油性。我们的研究允许鉴定有效且无毒的活性复合物体内抗金黄色葡萄球菌感染，MIC 剂量低至 300 ng/mL，以及抗白色念珠菌-MRSA 混合感染。这些化合物能够抑制白色念珠菌形态发生酵母到菌丝的转变，根除真菌-金黄色葡萄球菌的共感染，同时没有显示出心脏、肝脏、血液毒性或致畸性的迹象。
• Method of treating animals using fused imidazoheterocyclic compounds
  申请人：A. H. Robins Company, Incorporated

  公开号：US04914109A1

  公开（公告）日：1990-04-03

  Imidazoheterocyclic compounds having the formula: ##STR1## wherein the A ring is pyridine in any of its four positions; B is carbonyl, thioxomethyl or hydroxymethylene; Z is hydrogen, halogen, loweralkyl, hydroxy, loweralkoxy, diloweralkylamino or nitro; Ar is phenyl, pyrido, thienyl or furanyl; and W forms a wide combination of groups with B, including acids, esters, alcohols, amides and ketones. The compounds have CNS activity in a method for treating a living animal body as muscle relaxants, anticonvulsants and antianxiety agents.

  具有以下式子的咪唑杂环化合物：##STR1## 其中A环是吡啶，可以在其四个位置中的任何一个；B是羰基，硫代甲基或羟甲基；Z是氢，卤素，低碳基，羟基，低碳氧基，二低碳基氨基或硝基；Ar是苯基，吡啶基，噻吩基或呋喃基；W与B形成各种各样的基团组合，包括酸，酯，醇，酰胺和酮。这些化合物在治疗活体动物身体的肌肉松弛剂，抗癫痫剂和抗焦虑剂的方法中具有中枢神经系统活性。
• Substituted 1H-pyridinyl-2-ones as GABAA alpha 2/3 ligands
  申请人：MERCK SHARP & DOHME LIMITED

  公开号：US20010018438A1

  公开（公告）日：2001-08-30

  Compounds according to Formula (I) or a salt thereof are selective ligands for GABA A receptors useful for treatment of disorders of the central nervous system: 1

  根据式(I)或其盐合物的化合物是选择性的GABAA受体配体，可用于治疗中枢神经系统疾病。
• 3'-Azido-2',3'-dideoxyuridine anti-retroviral composition
  申请人：University of Georgia Research Foundation, Inc.

  公开号：US04916122A1

  公开（公告）日：1990-04-10

  Compositions for the treatment of AIDS and ARC having the following compound as an active ingredient: ##STR1## where R.sup.1 is OH, monophosphate, diphosphate, or triphosphate; or a pharmacologically acceptable salt thereof. The primary advantage of this compound is its highly selective anti-retroviral activity, i.e., it significantly decreases viral replication as measured as reverse transcriptase activity while demonstrating orders of magnitude less cytotoxicity than other anti-viral compounds such as AZT. In a preferred embodiment, the compound is present in an amount sufficient to inhibit the HIV reverse transcriptase activity but not significantly inhibit human DNA polymerase activity. Also included within the scope of this invention are 3'-azido-2',3'-dideoxyuridine mono-, di-, and triphosphate and compositions containing these compounds as the active agent.

  本发明涉及一种用于治疗艾滋病和ARC的化合物，其具有以下化合物作为活性成分：##STR1##其中R1为OH，单磷酸，二磷酸或三磷酸;或其药理学可接受的盐。该化合物的主要优点是其高度选择性的抗逆转录病毒活性，即它显著降低病毒复制，同时表现出比其他抗病毒化合物如AZT少几个数量级的细胞毒性。在一种优选的实施方式中，该化合物的存在量足以抑制HIV逆转录酶活性，但不会显著抑制人类DNA聚合酶活性。本发明还包括3'-azido-2'，3'-dideoxyuridine单磷酸，二磷酸和三磷酸以及含有这些化合物作为活性成分的组合物。
• Method and compositions for identifying anti-HIV therapeutic compounds
  申请人：Arimilli N. Murty

  公开号：US20050239054A1

  公开（公告）日：2005-10-27

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种识别具有羧酸酯或膦酸酯基团的抗HIV治疗化合物的方法。可以使用新型酶GS-7340酯水解酶筛选这些化合物的库。还提供了与GS-7340酯水解酶相关的组合物和方法。