1-Butyl-2-p-toluolsulfonylimino-3-thiazolid-5-on | 5242-26-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-Butyl-2-p-toluolsulfonylimino-3-thiazolid-5-on
• 英文别名: 2-(toluene-4-sulfonylamino)-thiazol-4-one；4-methyl-N-(4-oxo-thiazolidin-2-ylidene)benzenesulfonamide；4-methyl-N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzenesulfonamide；(NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
• CAS: 5242-26-2
• 化学式: C₁₀H₁₀N₂O₃S₂
• 分子量: 270.333
• InChiKey: XFYKTBKTAXHSAH-UHFFFAOYSA-N

物化性质

• 熔点：
  181-184 °C
• 沸点：
  437.3±38.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-Butyl-2-p-toluolsulfonylimino-3-thiazolid-5-on 在 哌啶 、 sodium cyanoborohydride 作用下， 以 四氢呋喃 、 正丁醇 为溶剂， 反应 9.0h， 生成 (NZ)-N-[5-[(5-ethylfuran-2-yl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Synthesis of thiazolone-based sulfonamides as inhibitors of HCV NS5B polymerase

  摘要：

  Several thiazolone-based sulfonamides were prepared, utilizing various hetero-aryl sulfonyl chlorides and different aldehydes, as inhibitors of NS5B polymerase, to target HCV. The best compound showed 0.6 nM Of IC50 inhibitory activity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.104
• 作为产物：
  描述：

  甲苯 在 氯磺酸 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 52.5h， 生成 1-Butyl-2-p-toluolsulfonylimino-3-thiazolid-5-on
  参考文献：
  名称：

  Molecular design and synthesis of HCV inhibitors based on thiazolone scaffold

  摘要：

  A series of thiazolone derivatives was designed and synthesized as potential HCV NS5B allosteric polymerase inhibitors at the allosteric site thumb II. Their antiviral activity was evaluated and molecular modeling was utilized to give further envision on their probable binding modes in the allosteric binding site. Among the tested molecules, compound 9b displayed sub-micromolar inhibitory activity with an EC50 of 0.79 mu M indicating excellent potency profile. It also showed good safety profile (CC50 >= 75 mu M and SI >= 94.3). (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.07.006

文献信息

• Methods of treating conditions associated with an Edg-7 receptor
  申请人：Solow-Cordero David

  公开号：US20050261298A1

  公开（公告）日：2005-11-24

  In one aspect, the present invention provides a method for modulating an Edg-7 receptor mediated biological activity in a cell. A cell expressing the Edg-7 receptor is contacted with a modulator of the Edg-7 receptor which is capable of modulating an Edg-7 receptor mediated biological activity. In another aspect, the present invention provides a method for modulating an Edg-7 receptor mediated biological activity in a subject. A therapeutically effective amount of a modulator of the Edg-7 receptor is administered to the subject.

  在一个方面，本发明提供了一种调节细胞中Edg-7受体介导的生物活性的方法。与表达Edg-7受体的细胞接触，该细胞与能够调节Edg-7受体介导的生物活性的Edg-7受体调节剂接触。在另一个方面，本发明提供了一种调节受体Edg-7介导的生物活性的方法。向受体施用治疗有效量的Edg-7受体调节剂。
• WO2008/75380
  申请人：——

  公开号：——

  公开（公告）日：——
• METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG RECEPTOR
  申请人：SRI INTERNATIONAL

  公开号：EP1513522A2

  公开（公告）日：2005-03-16
• [EN] METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG RECEPTOR<br/>[FR] PROCEDES POUR TRAITER DES PATHOLOGIES ASSOCIEES A UN RECEPTEUR D'EDG
  申请人：CERETEK LLC

  公开号：WO2003062392A2

  公开（公告）日：2003-07-31

  The present invention provides a method of modulating an Edg-2, Edg-3, Ed-4 or Edg7 receptor mediated biological activity in a cell. A cell expressing the Edg-2, Edg-3, Edg-4 or Edg 7 receptor is contacted with a modulator of the Edg-2, Edg-3, Ed-4 or Edg 7 receptor sufficient to modulate receptor mediated biological activity. In another aspect, the present invention provides a method for modulating an Edg-2, Edg-3, Ed-4 or Edg-7 receptor mediated biological in a subject. A therapeutically effective amount of a modulator of the Edg-2, Edg-3, Ed-4 or Edg7 receptor is administered to the subject.
• [EN] PROCESS FOR THE PREPARATION OF THIAZOLIDINE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS DE THIAZOLIDINE
  申请人：IND SWIFT LAB LTD

  公开号：WO2008075380A2

  公开（公告）日：2008-06-26

  [EN] The present invention relates to an industrially advantageous process for the preparation of thiazolidine derivatives, such as pioglitazone of formula I and its pharmaceutically acceptable salts.This invention also provides novel synthetic intermediates useful in the process for the preparation of pioglitazone.
  [FR] La présente invention concerne un procédé avantageux industriellement pour la préparation de dérivés de thiazolidine, par exemple de pioglitazone de formule I et ses sels pharmaceutiquement acceptables. Cette invention concerne également de nouveaux intermédiaires de synthèse utiles dans le procédé de préparation de la pioglitazone.