1-(羟基甲基)-4-苯基四唑-5-硫酮 | 32550-63-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(羟基甲基)-4-苯基四唑-5-硫酮
• 英文名称: 1,4-dihydro-1-hydroxymethyl-4-phenyltetrazol-5-thione
• 英文别名: 1-hydroxymethyl-4-phenyl-1,4-dihydro-tetrazole-5-thione；1-hydroxymethyl-4-phenyl-1,4-dihydro-tetrazolethione；1-Hydroxymethyl-4-phenyl-1,4-dihydro-tetrazolthion；1-hydroxymethyl-4-phenyl-2-tetrazolin-5-thione；1-Hydroxymethyl-4-phenyl-2-tetrazolin-5-thion；4-Hydroxymethyl-1-phenyl-tetrazolinthion-(5)；2-Tetrazoline-5-thione, 1-(hydroxymethyl)-4-phenyl-；1-(hydroxymethyl)-4-phenyltetrazole-5-thione
• CAS: 32550-63-3
• 化学式: C₈H₈N₄OS
• mdl: MFCD00087656
• 分子量: 208.244
• InChiKey: BTUJSUDWUWIQPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  83.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-(羟基甲基)-4-苯基四唑-5-硫酮 在 氯化亚砜 作用下， 以 丙酮 为溶剂， 生成 [Methylsulfanyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methylsulfanyl]methylidene]cyanamide
  参考文献：
  名称：

  Neue 1H-Tetrazol-5-thiol-Derivate als Pestizide, 2. Mitt. Cyanimidodithiokohlens�ureester

  摘要：

  Depending on the reaction conditions, tetrazoles and tetrazolines were synthesized from 1H-tetrazol-5-thiol derivatives. The heteroring was substituted by cyanodithioimidocarbonate to give either -S-CH2-S- or -S-CH2-N=derivatives. Many of them show fungicide activity.

  DOI：

  10.1007/bf00811024
• 作为产物：
  描述：

  (4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl 4-oxopentanoate 在 sodium metabisulfite 、 sodium thiosulfate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 以90%的产率得到1-(羟基甲基)-4-苯基四唑-5-硫酮
  参考文献：
  名称：

  A New Deprotection Method for Levulinyl Protecting Groups under Neutral Conditions

  摘要：

  在中性条件下，亚硫酸根离子诱导的乙酰基裂解提供了一种方便、温和的脱保护方法，尤其适用于碱易变性和/或氧敏感性化合物。

  DOI：

  10.1246/cl.1988.585

文献信息

• Method of forming color photographic images
  申请人：Fuji Photo Film Co., Ltd.

  公开号：US04146396A1

  公开（公告）日：1979-03-27

  A two equivalent yellow, magenta or cyan coupler having various superior properties and suitable for use in color photographic systems and having a releasable group represented by the following general formula: ##STR1## wherein R represents a hydrogen atom, a halogen atom, an alkyl group, an alkenyl group, an aralkyl group, an aralkenyl group, an aryl group or a heterocyclic group; and Y represents the non-metallic atoms necessary to form a 5- to 7-membered ring together with the N atom forming a part thereof, a photographic light-sensitive material containing the two equivalent coupler and a method of forming color photographic images which comprises developing an imagewise exposed silver halide photographic emulsion with an aromatic primary amine developing agent in the presence of the two equivalent coupler.

  具有多种优良性质的两种等效的黄色、洋红色或青色偶联剂，适用于彩色摄影系统，并具有可释放基团，该基团由以下一般式表示：##STR1## 其中R代表氢原子、卤素原子、烷基、烯基、芳基烷基、芳基烯基、芳基或杂环基；Y代表与其中的N原子一起形成5-至7-环的非金属原子，包括含有两个等效偶联剂的光敏感摄影材料，以及一种形成彩色摄影图像的方法，该方法包括在两个等效偶联剂的存在下，用芳香族一次胺显影剂处理成像暴露的银卤化物摄影乳剂。
• Substrates, systems, and methods for array synthesis and biomolecular analysis
  申请人：Vibrant Holdings, LLC

  公开号：US10286376B2

  公开（公告）日：2019-05-14

  Disclosed herein are formulations, substrates, and arrays. In certain embodiments, substrates and arrays comprise a porous layer for synthesis and attachment of polymers or biomolecules. Also disclosed herein are methods for manufacturing and using the formulations, substrates, and arrays, including porous arrays. Also disclosed herein are formulations and methods for one-step coupling, e.g., for synthesis of peptides in an N->C orientation. In some embodiments, disclosed herein are formulations and methods for high efficiency coupling of biomolecules to a substrate.

  本文公开了配方、基底和阵列。在某些实施方案中，基底和阵列包括用于合成和附着聚合物或生物分子的多孔层。本文还公开了制造和使用配方、基底和阵列（包括多孔阵列）的方法。本文还公开了用于一步偶联的配方和方法，例如用于合成 N->C 取向的肽。在某些实施方案中，本文公开了生物大分子与基质高效偶联的配方和方法。
• Methods and compositions for amplified electrochemiluminescence detection
  申请人：VIBRANT HOLDINGS, LLC

  公开号：US10816553B2

  公开（公告）日：2020-10-27

  Disclosed herein are formulations, substrates, and arrays. Also disclosed herein are methods for manufacturing and using the formulations, substrates, and arrays. Also disclosed are methods for identifying peptide sequences useful for diagnosis and treatment of disorders, and methods for using the peptide sequences for diagnosis and treatment of disorders, e.g., celiac disorder. In certain embodiments, substrates and arrays comprise a porous layer for synthesis and attachment of polymers or biomolecules.

  本文公开了配方、基底和阵列。本文还公开了制造和使用这些制剂、底物和阵列的方法。还公开了用于识别诊断和治疗疾病的多肽序列的方法，以及用于诊断和治疗疾病（如乳糜泻）的多肽序列的方法。在某些实施方案中，基底和阵列包括用于合成和附着聚合物或生物分子的多孔层。
• Peptide microarrays and novel biomarkers for celiac disease
  申请人：VIBRANT HOLDINGS, LLC

  公开号：US10900964B2

  公开（公告）日：2021-01-26

  The present disclosure relates generally to biomarkers and peptide arrays, and, more particularly, to a method of using a peptide array to identify biomarkers for an autoimmune disease such as, e.g., celiac disease. Furthermore, a set of novel biomarkers for celiac disease, having high sensitivity and specificity, are disclosed in addition to method of treatment using the novel biomarkers.

  本公开总体上涉及生物标志物和肽阵列，更具体地说，涉及一种使用肽阵列鉴定自身免疫性疾病（如乳糜泻）生物标志物的方法。此外，还公开了一组具有高灵敏度和特异性的乳糜泻新型生物标记物，以及使用这些新型生物标记物进行治疗的方法。
• Synthesis, antibacterial and QSAR evaluation of 5-oxo and 5-thio derivatives of 1,4-disubstituted tetrazoles
  作者：Rami Y. Morjan、Nisreen H. Al-Attar、Omar S. Abu-Teim、Maschke Ulrich、Adel M. Awadallah、Ahmed M. Mkadmh、Abdelrauof A. Elmanama、James Raftery、Fakhr M. Abu-Awwad、Zyad J. Yaseen、Ammar F. Elqidrea、John M. Gardiner

  DOI：10.1016/j.bmcl.2015.04.070

  日期：2015.9

  A series of 1,4-disubstituted tetrazol-5-ones 3a, 5, 7, 12, 13 and 1,4-disubstituted tetrazol-5-thiones 3b, 9, 10 was synthesized and fully characterized by IR, MS, H-1 NMR and C-13 NMR. The series was evaluated for in vitro antibacterial activity against four Gram negative (Escherichia coli, Proteus mirabilis, Klebsiella pneumonia, and Pseudomonas aeruginosa) and three Gram positive (Staphylococcus aureus, Enterococcus faecalis, and Bacillus subtilis) bacteria. The zone of inhibition was measured using the well-diffusion assay, and in vitro minimum inhibitory concentration (MIC) was determined by microbroth dilution assay. MIC values indicate that compounds exhibited a varied range (0.2-37 mu g/mL) of antibacterial activity against the tested bacterial strains. Statistically significant QSAR models were developed by the simple linear regression analysis for the correlation of MIC with computed descriptors. The concluded cross validated regression factors are 0.953 and 0.986 for E. coli, and S. aureus, respectively. (C) 2015 Elsevier Ltd. All rights reserved.