NSC668332 | 70618-22-3

• 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: NSC668332
• 英文别名: N(4)-meta-tolyl-2-acetylpyridine thiosemicarbazone；H2Ac4mT；2-Acetylpyridine-4-m-tolyl thiosemicarbazone；1-(3-methylphenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
• CAS: 70618-22-3
• 化学式: C₁₅H₁₆N₄S
• 分子量: 284.385
• InChiKey: ANJKHGQGRYJRCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  50.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 NSC668332 以 二氯甲烷 为溶剂， 生成 trans-[Ru(N(4)-meta-tolyl-2-acetylpyridine thiosemicarbazone)(PPh3)2Cl]Cl 、 cis-[Ru(N(4)-meta-tolyl-2-acetylpyridine thiosemicarbazone)(PPh3)2Cl]Cl
  参考文献：
  名称：

  Ruthenium(II) complexes containing N(4)-tolyl-2-acetylpyridine thiosemicarbazones and phosphine ligands: NMR and electrochemical studies of cis–trans isomerization

  摘要：

  [Ru(HL)(PPh3)(2)Cl]Cl complexes have been obtained in which HL = N(4)-ortho (complex 1), N(4)-meta (complex 2) and N(4) pctratolyl 2-acetylpyridine thiosemicarbazone (complex 3). NMR and electrochemical studies indicate that both cis and trans isomers exist in solution, and that the cis isomers are converted into the trans isomers with time. Crystal structure determination of (1) reveals that the traps isomer is formed in the solid state. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2007.04.032

文献信息

• US8273701B2
  申请人：——

  公开号：US8273701B2

  公开（公告）日：2012-09-25
• [EN] METHOD FOR DIAGNOSING NON-SMALL CELL LUNG CARCINOMA<br/>[FR] METHODE DE DIAGNOSTIC DE CARCINOME PULMONAIRE NON A PETITES CELLULES
  申请人：DARTMOUTH COLLEGE

  公开号：WO2007027421A2

  公开（公告）日：2007-03-08

  [EN] The present invention relates to the constitutive activity of the Hedgehog pathway in non-small cell lung carcinoma (NSCLC) . A method for diagnosing NSCLC by detecting the level of a component of the Hedgehog pathway is provided, as is a method for identifying subjects that will respond positively to treatment with a Hedgehog pathway antagonist. Methods for treating subjects with cancer or cancers resistant to Hedgehog pathway antagonists are also provided.
  [FR] Cette invention concerne l'activité constitutive de la voie Hedgehog dans un carcinome pulmonaire non à petites cellules (NSCLC). Cette invention concerne également une méthode de diagnostic d'un carcinome pulmonaire non à petites cellules (NSCLC) consistant à détecter le niveau d'un composant de la voie Hedgehog, ainsi qu'une méthode d'identification de sujets réagissant positivement à un traitement faisant appel à un antagoniste de la voie Hedgehog. Cette invention concerne en outre des méthodes de traitement de sujets atteints d'un ou plusieurs cancers résistant aux antagonistes de la voie Hedgehog.