N′¹,N′³-bis{[3-(dimethylamino)phenyl]carbonothioyl}-N′¹,N′³-dimethylmalonohydrazide | 488832-94-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N′¹,N′³-bis{[3-(dimethylamino)phenyl]carbonothioyl}-N′¹,N′³-dimethylmalonohydrazide
• 英文别名: 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide
• CAS: 488832-94-6
• 化学式: C₂₃H₃₀N₆O₂S₂
• 分子量: 486.662
• InChiKey: DXROKKJPKSDRDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丙二酸 、 在 1-丙基磷酸酐 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以46%的产率得到N′¹,N′³-bis{[3-(dimethylamino)phenyl]carbonothioyl}-N′¹,N′³-dimethylmalonohydrazide
  参考文献：
  名称：

  N，1，N'3-二烷基-N'1，N'3-双（芳基碳硫基）丙二酰肼通过丙基膦酸酐偶联物的简便合成

  摘要：

  专用于成业袁教授和有机化学研究所上海（CAS）的李昕戴教授在他们的90个之际个生日 抽象 一种抗癌剂伊利司莫及其类似物，容易且方便的合成方法Ñ ' 1，Ñ ' 3 -二烷基Ñ ' 1，Ñ ' 3双（arylcarbonothioyl）malonohydrazides，通过直接耦合Ñ -烷基- ñ - （取代的）benzothiohydrazides和使用丙基膦酸酐（T3P取代的丙二酸®）已经开发下非常温和的条件。 一种抗癌剂伊利司莫及其类似物，容易且方便的合成方法Ñ ' 1，Ñ ' 3 -二烷基Ñ ' 1，Ñ ' 3双（arylcarbonothioyl）malonohydrazides，通过直接耦合Ñ -烷基- ñ - （取代的）benzothiohydrazides和使用丙基膦酸酐（T3P取代的丙二酸®）已经开发下非常温和的条件。

  DOI：

  10.1055/s-0034-1378664

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。
• Paclitaxel enhancer compounds
  申请人：Koya Keizo

  公开号：US20080214655A1

  公开（公告）日：2008-09-04

  Disclosed is a compound represented by the Structural Formula (I): Y is a covalent bond, a phenylene group or 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 and R 2 are independently an aryl group or a substituted aryl group, R 3 and R 4 are independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group. 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. Also disclosed is a method of treating a subject with cancer by administering to the subject a compound of Structural Formula (I) in combination with Paclitaxel or an analog of Paclitaxel.

  本发明揭示了一种由结构式（I）表示的化合物： 其中，Y是共价键，苯基或取代或未取代的直链烃基团。此外，Y与其连接的两个>C=Z基团一起，是取代或未取代的芳香族基团。优选地，Y是共价键或—C（R7R8）—。R1和R2分别是芳基基团或取代芳基基团，R3和R4分别是—H、脂肪基、取代脂肪基、芳基或取代芳基。R5-R6分别是—H、脂肪基、取代脂肪基、芳基或取代芳基。R7和R8各自独立地是—H、脂肪基或取代脂肪基，或者R7是—H，R8是取代或未取代的芳基基团，或者R7和R8一起是C2-C6取代或未取代的烷基基团。Z是═O或═S。本发明还揭示了包含本发明化合物和药学可接受的载体或稀释剂的制药组合物。本发明还揭示了一种通过将Paclitaxel或Paclitaxel类似物与结构式（I）的化合物联合给予受试者治疗癌症的方法。
• PACLITAXEL ENHANCER COMPOUNDS
  申请人：Koya Keizo

  公开号：US20100280075A1

  公开（公告）日：2010-11-04

  Disclosed is a compound represented by the Structural Formula (I): Y is a covalent bond, a phenylene group or 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 and R 2 are independently an aryl group or a substituted aryl group, R 3 and R 4 are independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group. 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 g are each independently —H, an aliphatic or substituted aliphatic group, or R 7 is —H and R g 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. Also disclosed is a method of treating a subject with cancer by administering to the subject a compound of Structural Formula (I) in combination with Paclitaxel or an analog of Paclitaxel.

  本发明公开了一种化合物，其结构式表示为（I）：其中，Y是共价键，苯基或取代或未取代的直链烃基。此外，将Y与其结合的两个>C═Z基团结合起来，形成取代或未取代的芳香族基团。优选地，Y是共价键或—C（R7R8）—。R1和R2分别是芳基或取代芳基，R3和R4分别是—H，脂肪基，取代脂肪基，芳基或取代芳基。R5-R6分别是—H，脂肪基，取代脂肪基，芳基或取代芳基。R7和Rg各自独立地是—H，脂肪基或取代脂肪基，或者R7是—H，而Rg是取代或未取代的芳基。或者，R7和R8一起是C2-C6取代或未取代的烷基基团。Z是═O或═S。本发明还公开了包含本发明化合物和药学上可接受的载体或稀释剂的药物组合物。本发明还公开了一种通过向患有癌症的受试者同时给予结构式（I）化合物和紫杉醇或紫杉醇类似物来治疗患者的方法。
• US7345094B2
  申请人：——

  公开号：US7345094B2

  公开（公告）日：2008-03-18
• US7435843B2
  申请人：——

  公开号：US7435843B2

  公开（公告）日：2008-10-14