4-(methylthio)benzamidine | 412307-75-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-(methylthio)benzamidine
• 英文别名: 4-methylsulfanyl-benzamidine；4-Methylmercapto-benzoesaeure-(amid-imin)；4-Methylmercapto-benzamidin；4-methylsulfanylbenzenecarboximidamide
• CAS: 412307-75-6
• 化学式: C₈H₁₀N₂S
• 分子量: 166.247
• InChiKey: AKPJVNWTNVZVDP-UHFFFAOYSA-N

物化性质

• 熔点：
  135 °C
• 沸点：
  283.3±42.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  新戊酰基乙酸甲酯 、 4-(methylthio)benzamidine 在 甲醇 、 sodium methylate 作用下， 生成 6-tert-butyl-2-(4-methylsulfanylphenyl)pyrimidin-4-ol
  参考文献：
  名称：

  Novel 2-(4-methylsulfonylphenyl)pyrimidine derivatives as highly potent and specific COX-2 inhibitors

  摘要：

  New series of 2-(4-methylsulfonylphenyl) and 2-(4-sulfamoylphenyl)pyrimidines were synthesized and evaluated for their ability to inhibit cyclooxygenase-2 (COX-2). COX-1 and COX-2 inhibitory activity of these compounds was determined using purified enzyme (PE) and human whole blood (HWB) assays. Extensive structure-activity relationship (SAR) work was carried out within these series, and a wide number of potent and specific COX-2 inhibitors were identified (HWB COX-2 IC50 = 2.4-0.3 nM and 80- to 780-fold more selective than rofecoxib). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.11.079
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氨 作用下， 生成 4-(methylthio)benzamidine
  参考文献：
  名称：

  Buu-Hoi; Lecocq, Bulletin de la Societe Chimique de France, 1946, p. 139,142

  摘要：

  DOI：

文献信息

• [EN] RADIOLABELED COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS RADIOMARQUÉS ET LEURS UTILISATIONS
  申请人：UNIV COLUMBIA

  公开号：WO2020257653A1

  公开（公告）日：2020-12-24

  Radiolabeled compounds of Formula I are described. Processes for radiolabeling the compounds are described. Methods for radioactive imaging using the compounds are also described.

  本文描述了公式I的放射性标记化合物。描述了标记化合物的过程。还描述了使用这些化合物进行放射性成像的方法。
• Method of modulating stress-activated protein kinase system
  申请人：Intermune, Inc.

  公开号：EP2426134A2

  公开（公告）日：2012-03-07

  It has now been discovered that a high therapeutic effect in treating various disorders associated with enhanced activity of kinase p38 may be achieved by using a potent p38? kinase inhibitor compound which also has inhibitory activity against p38?. Furthermore, reducing the activities of both kinase p38? and kinase p38? without reducing the activity of a kinase p38? to such an extent that undesired side effects are observed upon administration to a subject having a disorder associated with enhanced activity of kinase p38 has been discovered to be achievable by modifying inhibitors of p38? such that the modification engenders inhibitory activity against p38?. Described are compounds with activity against p38? and p38?.; Disclosed are methods of using described compounds and compositions to modulate a stress activated protein kinase (SAPK) system with an active compound, wherein the active compound exhibits inhibition of the p38? and p38? MAPKs. Also disclosed are methods for identifying compounds which inhibit p38? and p38? MAPKs and which can modulate a stress activated protein kinase (SAPK) system.

  现已发现，通过使用一种对 p38?激酶也具有抑制活性的强效 p38?激酶抑制剂化合物，可以在治疗与 p38?激酶活性增强有关的各种疾病方面取得很高的治疗效果。此外，已经发现通过修饰 p38?的抑制剂，使其对 p38?具有抑制活性，可以降低激酶 p38?和激酶 p38?的活性，而不会降低激酶 p38?的活性，以至于在对患有与激酶 p38?活性增强相关的疾病的受试者用药时观察到不期望的副作用。和p38?的活性的化合物；公开了使用所述化合物和组合物以活性化合物调节应激活化蛋白激酶(SAPK)系统的方法，其中活性化合物表现出抑制p38?MAPKs 的抑制作用。还公开了鉴定抑制 p38?和 p38?MAPKs 并能调节应激活化蛋白激酶（SAPK）系统的化合物的方法。
• Effect of theory-based feature correlations on typicality judgments
  作者：Woo-Kyoung Ahn、Jessecae K. Marsh、Christian C. Luhmann、Kevin Lee

  DOI：10.3758/bf03195270

  日期：2002.1

  In the present study, we examine what types of feature correlations are salient in our conceptual representations. It was hypothesized that of all possible feature pairs, those that are explicitly recognized as correlated (i.e., explicit pairs) and affect typicality judgments are the ones that are more likely theory based than are those that are not explicitly recognized (i.e., implicit pairs). Real-world categories and their properties, taken from Malt and Smith (1984), were examined. We found that explicit pairs had a greater number of asymmetric dependency relations (i.e., one feature depends on the other feature, but not vice versa) and stronger dependency relations than did implicit pairs, which were statistically correlated in the environment but were not recognized as such. In addition, people more often provided specific relation labels for explicit pairs than for implicit pairs; these labels were most often causal relations. Finally, typicality judgments were more affected when explicit correlations were broken than when implicit correlations were broken. It is concluded that in natural categories, feature correlations that are explicitly represented and affect typicality judgments are the ones about which people have theories.
• 170. Chemotherapeutic agents of the sulphone type. Part II. Sulphones related to benzamidine and benzylamine
  作者：A. T. Fuller、I. M. Tonkin、James Walker

  DOI：10.1039/jr9450000633

  日期：——
• MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS
  申请人：Richter Martin

  公开号：US20140086936A1

  公开（公告）日：2014-03-27

  The present invention provides matriptase inhibitors and compositions for treating and preventing orthomyxovirus infections such as flu infections. The present invention also provides novel compounds, compositions, methods of use, uses and kits thereof for inhibiting matriptase. Such compounds are useful for treating and preventing orthomyxovirus infections, such as flu infections, and for inhibiting tumor growth, progression and/or metastasis.