1-[3-(N,N-dimethylamino)propylthio]-4-bromobenzene | 403793-24-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-[3-(N,N-dimethylamino)propylthio]-4-bromobenzene
• 英文别名: 3-(4-bromophenyl)sulfanyl-N,N-dimethylpropan-1-amine
• CAS: 403793-24-8
• 化学式: C₁₁H₁₆BrNS
• 分子量: 274.225
• InChiKey: ZPVPPQGNYLYSRQ-UHFFFAOYSA-N

物化性质

• 沸点：
  322.6±27.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  28.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-[3-(N,N-dimethylamino)propylthio]-4-bromobenzene 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 oxone 、 水 、 potassium acetate 、 sodium carbonate 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 、 水 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  CDK9激酶抑制剂

  摘要：

  本申请涉及CDK9激酶抑制剂，提供了具有式(I)的化合物或者其立体异构体、溶剂合物、代谢产物、药学上可接受的盐或前药，和包含其的药物组合物。还提供了化合物和药物组合物的在制备用于治疗癌症的药物中的应用。

  公开号：

  CN113666934B
• 作为产物：
  描述：

  N,N-二甲氨基氯丙烷盐酸盐 、 4-溴苯硫酚 在 potassium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 0.25h， 以96%的产率得到1-[3-(N,N-dimethylamino)propylthio]-4-bromobenzene
  参考文献：
  名称：

  Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration

  摘要：

  该公式化合物（I）：其中R1、R2、R3、R4、R5、R6、p、q和n的定义如下，并描述了其药用盐和体内可水解酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）作用的药物。

  公开号：

  US20040014776A1

文献信息

• [EN] DERIVATIVES OF 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE WITH CDK INHIBITORY ACTIVITY<br/>[FR] DERIVES DE 4- (IMIDAZOL-5-YL)-2-(4-SULFOANILINO) PYRIMIDINE A ACTIVITE INHIBITRICE CDK
  申请人：ASTRAZENECA AB

  公开号：WO2003076436A1

  公开（公告）日：2003-09-18

  Compounds of the formula (I): wherein R1, R2, R3, R4, R5 and p are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  公式（I）的化合物：其中R1、R2、R3、R4、R5和p的定义如下，并且描述了药学上可接受的盐和体内可水解酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）效果的药物。
• Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration
  申请人：——

  公开号：US20040014776A1

  公开（公告）日：2004-01-22

  Compounds of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , p, q, and n are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  该公式化合物（I）：其中R1、R2、R3、R4、R5、R6、p、q和n的定义如下，并描述了其药用盐和体内可水解酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）作用的药物。
• Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity
  申请人：Newcombe John Nicholas

  公开号：US20050131000A1

  公开（公告）日：2005-06-16

  Compounds of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 and p are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  本文描述了化学式（I）的化合物，其中R1、R2、R3、R4、R5和p的定义如本文中所述，并描述了其药物学上可接受的盐和体内可水解的酯。同时还描述了它们的制备过程以及它们作为药物的用途，特别是作为产生对温血动物（如人）的细胞周期抑制（抗细胞增殖）效应的药物。
• Imidazolo-5-yl-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation
  申请人：Breault Anne Gloria

  公开号：US20060004033A1

  公开（公告）日：2006-01-05

  Compounds of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , p, q, and n are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  式(I)的化合物：其中R1、R2、R3、R4、R5、R6、p、q和n的定义如内部所述，并且所述化合物的药学上可接受的盐和体内可水解的酯被描述。还描述了它们的制备过程以及它们作为药物的用途，特别是作为在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）效应的药物。
• Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with CDK inhibitory activity
  申请人：AstraZeneca AB

  公开号：US07465728B2

  公开（公告）日：2008-12-16

  Compounds of the formula (I): wherein R1, R2, R3, R4, R5 and p are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  本发明涉及式(I)的化合物，其中R1、R2、R3、R4、R5和p如定义所述，并描述了其药学上可接受的盐和体内可水解的酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为在温血动物（例如人）中产生细胞周期抑制（抗细胞增殖）效应的药物。