2-(benzylthio)imidazole | 15139-30-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(benzylthio)imidazole
• 英文别名: 2-benzylsulfanyl-1H-imidazole；2-benzylmercapto-1H-imidazole；2-Benzylmercapto-1H-imidazol；2-(benzylsulfanyl)-1H-imidazole；2-benzylsulfanyl-1H-imidazole
• CAS: 15139-30-7
• 化学式: C₁₀H₁₀N₂S
• 分子量: 190.269
• InChiKey: NPBMCLWRSOFTTI-UHFFFAOYSA-N

物化性质

• 熔点：
  153 °C
• 沸点：
  383.3±35.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(benzylthio)imidazole 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以97%的产率得到NoName_547
  参考文献：
  名称：

  A unified approach to systematic isosteric substitution for acidic groups and application to NMDA antagonists related to 2-amino-7-phosphonoheptanoate

  摘要：

  A systematic approach to the replacement of acidic groups with potential bioisosteres is described. The strategy involves simple nucleophilic displacement of a common alkyl halide precursor with a variety of mercaptoazoles and related molecules. The mercaptoazoles and their oxidized derivatives (sulfinyl- and sulfonylazoles) represent a series of possible surrogates for acidic groups which span a pKa range from about 4.5-11.5. This simple strategy was extended to include 2-hydroxy- or 2-aminothiophenyl groups which function as relatively nonacidic isosteres for a phosphonic acid. By replacing the phosphonic acid of 2-amino-7-phosphonoheptanoate (AP-7) with these groups, we have synthesized novel N-methyl-d-aspartate (NMDA) antagonists.

  DOI：

  10.1021/jm00165a030
• 作为产物：
  描述：

  2-巯基咪唑 在 氨 、 sodium 作用下， 生成 2-(benzylthio)imidazole
  参考文献：
  名称：

  Heath et al., Journal of the Chemical Society, 1951, p. 2215

  摘要：

  DOI：

文献信息

• ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, DISPLAY ELEMENT, AND DIMMING ELEMENT
  申请人：GOTO Daisuke

  公开号：US20170226413A1

  公开（公告）日：2017-08-10

  To provide an electrochromic compound, represented by the following general formula (I), where Ar 1 is a pyridinium ring having a structure represented by the following general formula (IIa), (IIb), or (IIc), where Ar 2 is a monovalent heterocyclic ring which may have a substituent, but Ar 2 is not a pyridinium ring; R 1 to R 8 are each independently a monovalent group which may have a functional group, where the monovalent group may have a substituent; A is a monovalent group which may have a functional group, where the monovalent group may have a substituent; and B − is a monovalent anion.

  提供一种电致变色化合物，其由以下一般式（I）表示，其中Ar1为具有以下一般式（IIa）、（IIb）或（IIc）所表示结构的吡啶环，其中Ar2为可能具有取代基的一价杂环环，但Ar2不是吡啶环；R1至R8各自独立地为可能具有官能团的一价基团，其中该一价基团可能具有取代基；A为可能具有官能团的一价基团，其中该一价基团可能具有取代基；B-为一价阴离子。
• [EN] MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS MICROBIOCIDES DE QUINOLÉINE (THIO)CARBOXAMIDE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2019053010A1

  公开（公告）日：2019-03-21

  Compounds of the formula (I) wherein the subsitiuents are as defined in claim 1. Furthermore, the present invention relates to agrochemical compositions which comprise compounds of formula (I), to preparation of these compositions, and to the use of the compounds or compositions in agriculture or horticulture for combating, preventing or controlling infestation of plants, harvested food crops, seeds or non-living materials by phytopathogenic microorganisms, in particular fungi.

  式(I)中的化合物，其中取代基如权利要求1所定义。此外，本发明涉及包括式(I)化合物的农药组合物，制备这些组合物以及在农业或园艺中使用这些化合物或组合物来对抗、预防或控制植物、收获的农作物、种子或非生物材料受植物病原微生物，特别是真菌的侵害。
• [EN] 4(SPIROPIPERIDINYL)METHYL SUBSTITUTED PYRROLIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] 4(SPIROPIPERIDINYL)METHYL PYRROLIDINES SUBSTITUEES SERVANT DE MODULATEURS DE L'ACTIVITE DES RECEPTEURS DES CHIMIOKINES
  申请人：MERCK & CO INC

  公开号：WO2004058763A1

  公开（公告）日：2004-07-15

  3-Substituted pyrrolidines having a spiropiperidinylmethyl substituent on the 4-position of the ring are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptors CCR-3 and/or CCR-5.

  在环的4位上具有螺环哌啶甲基取代基的3-取代吡咯烷可用作化学因子受体活性调节剂。具体来说，这些化合物可用作化学因子受体CCR-3和/或CCR-5的调节剂。
• [EN] MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS MICROBIOCIDES DE QUINOLINE (THIO)CARBOXAMIDE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2019053015A1

  公开（公告）日：2019-03-21

  Compounds of the formula (I) wherein the subsitiuents are as defined in claim 1. Furthermore, the present invention relates to agrochemical compositions which comprise compounds of formula (I), to preparation of these compositions, and to the use of the compounds or compositions in agriculture or horticulture for combating, preventing or controlling infestation of plants, harvested food crops, seeds or non-living materials by phytopathogenic microorganisms, in particular fungi.

  式(I)中的化合物，其中取代基如权利要求1所定义。此外，本发明涉及包含式(I)化合物的农药组合物，制备这些组合物以及在农业或园艺中使用这些化合物或组合物来对抗、预防或控制植物、收获的农作物、种子或非生物材料受植物病原微生物，特别是真菌的侵害。
• [EN] COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS<br/>[FR] COMPOSÉS PERMETTANT DE RÉGULER LES VOIES FAK ET/OU SRC
  申请人：ASANA BIOSCIENCES LLC

  公开号：WO2015038417A1

  公开（公告）日：2015-03-19

  The present application provides novel optionally substituted fused pyridine and pyrimidine bicyclic compounds and pharmaceutically acceptable salts thereof. Also provided are methods for preparing these compounds. These compounds are useful in co-regulating FAK and/or Src activity by administering a therapeutically effective amount of one or more of the compounds to a subject. By doing so, these compounds are effective in treating conditions associated with the dysregulation of the FAK and/or Src pathway. Advantageously, these compounds perform as dual FAK and/or Src inhibitors. A variety of conditions can be treated using these compounds and include diseases which are characterized by inflammation or abnormal cellular proliferation. In one embodiment, the disease is cancer.

  本申请提供了新颖的可选择替代的融合吡啶和嘧啶双环化合物及其药用可接受盐。还提供了制备这些化合物的方法。通过向受试者投予一种或多种化合物的治疗有效量，这些化合物在共调节FAK和/或Src活性方面具有用处。通过这样做，这些化合物在治疗与FAK和/或Src途径失调相关的疾病方面具有有效性。这些化合物作为双重FAK和/或Src抑制剂表现出优势。可以使用这些化合物治疗各种疾病，包括以炎症或异常细胞增殖为特征的疾病。在一个实施例中，该疾病是癌症。