1-N',3-N'-di(ethanethioyl)-2,2-dimethyl-1-N',3-N'-diphenylpropanedihydrazide | 488831-58-9

• 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-N',3-N'-di(ethanethioyl)-2,2-dimethyl-1-N',3-N'-diphenylpropanedihydrazide
• CAS: 488831-58-9
• 化学式: C₂₁H₂₄N₄O₂S₂
• 分子量: 428.579
• InChiKey: OSBUYQLCNPXLKR-UHFFFAOYSA-N

物化性质

• 密度：
  1.295±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  二甲基丙二酸二甲酯 在 sodium sulfide 、 高氯酸 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 水 、 丙酮 为溶剂， 反应 0.5h， 生成 1-N',3-N'-di(ethanethioyl)-2,2-dimethyl-1-N',3-N'-diphenylpropanedihydrazide
  参考文献：
  名称：

  Syntheses and antitumor activities of N′1,N′3-dialkyl-N′1,N′3-di-(alkylcarbonothioyl) malonohydrazide: The discovery of elesclomol

  摘要：

  A series of N'(1),N'(3)-dialkyl-N'(1),N'(3)-di(alkylcarbonothioyl) malonohydrazides have been designed and synthesized as anticancer agents by targeting oxidative stress and Hsp70 induction. Structure-activity relationship (SAR) studies lead to the discovery of STA-4783 (elesclomol), a novel small molecule that has been evaluated in a number of clinical trials as an anticancer agent in combination with Taxol. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.07.032

文献信息

• Synthesis of taxol enhancers
  申请人：Chen Shoujun

  公开号：US20090005594A1

  公开（公告）日：2009-01-01

  Disclosed is a method of preparing a thiohydrazide product compound from a hydrazide starting compound. The hydrazide starting compound is represented by Structural Formula (I): The thiohydrazide product compound is represented by Structural Formula (II): In Structural Formulas (I)-(II), R 1 and R 2 are independently an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group, or R 1 and R 2 taken together with the carbon and nitrogen atoms to which they are bonded, form a non-aromatic heterocyclic ring optionally fused to an aromatic ring. When R 2 is an aryl group or a substituted aryl group, then R 5 is a hydrazine protecting group; and when R 2 is an aliphatic or substituted aliphatic group, then R 5 is —H or a hydrazine protecting group. R 10 is —H or a substituted or unsubstituted alkyl group. The method comprising the step of reacting the starting compound with a thionylating reagent.

  本发明公开了一种从一个酰肼起始化合物制备硫代酰肼产物化合物的方法。该酰肼起始化合物由结构式（I）表示：硫代酰肼产物化合物由结构式（II）表示：在结构式（I）-（II）中，R1和R2分别独立地表示脂肪基，取代脂肪基，芳基或取代芳基，或者R1和R2连同它们所连接的碳和氮原子形成一个非芳杂环环，可选地融合到一个芳环上。当R2为芳基或取代芳基时，R5是一个肼保护基；当R2为脂肪基或取代脂肪基时，R5是-H或肼保护基。R10是-H或取代或未取代的烷基。该方法包括将起始化合物与硫酰化试剂反应的步骤。
• TAXOL ENHANCER COMPOUNDS
  申请人：Synta Pharmaceuticals Corporation

  公开号：EP1406870B1

  公开（公告）日：2009-11-11
• Paclitaxel enhancer compound
  申请人：Koya Keizo

  公开号：US20080242702A1

  公开（公告）日：2008-10-02

  One embodiment of the present invention is a compound represented by the Structural Formula (I): Y is a covalent bond of a substituted or unsubstituted straight chained hydrocarbyl group. In addition, Y, taken together with both >C=Z groups to which it is bonded, is a substituted or unsubstituted aromatic group. Preferably, Y is a covalent bond or —C(R 7 R 8 )—. R 1 is an aliphatic group, a substituted aliphatic group, a non-aromatic heterocyclic group, or a substituted non-aromatic heterocyclic group, R 2 -R 4 are independently —H, an aliphatic group, a substituted aliphatic group, a non-aromatic heterocyclic group, a substituted non-aromatic heterocyclic group, an aryl group or a substituted aryl group, or R 1 and R 3 taken together with the carbon and nitrogen atoms to which they are bonded, and/or R 2 and R 4 taken together with the carbon and nitrogen atoms to which they are bonded, form a non-aromatic heterocyclic ring optionally fused to an aromatic ring. R 5 -R 6 are independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group. R 7 and R 8 are each independently —H, an aliphatic or substituted aliphatic group, or R 7 is —H and R 8 is a substituted or unsubstituted aryl group, or, R 7 and R 8 , taken together, are a C2-C6 substituted or unsubstituted alkylene group. Z is ═O or ═S. Also disclosed are pharmaceutical compositions comprising the compound of the present invention and a pharmaceutically acceptable carrier or diluent.
• US7368473B2
  申请人：——

  公开号：US7368473B2

  公开（公告）日：2008-05-06
• US7435843B2
  申请人：——

  公开号：US7435843B2

  公开（公告）日：2008-10-14