(4-bromophenyl)(3-methoxypropyl)sulfane | 1356206-90-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (4-bromophenyl)(3-methoxypropyl)sulfane
• CAS: 1356206-90-0
• 化学式: C₁₀H₁₃BrOS
• 分子量: 261.183
• InChiKey: ZZNARHWMDYZOBW-UHFFFAOYSA-N

物化性质

• 沸点：
  313.6±27.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.58
• 重原子数：
  13.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (4-bromophenyl)(3-methoxypropyl)sulfane 在 oxone(R) 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 水 、 苯 为溶剂， 反应 1.0h， 生成 (R)-1-{2-[4'-(3-methoxypropane-1-sulfonyl)biphenyl-4-yl]ethyl}-2-methylpyrrolidine
  参考文献：
  名称：

  Identification of biaryl sulfone derivatives as antagonists of the histamine H3 receptor: Discovery of (R)-1-(2-(4′-(3-methoxypropylsulfonyl)biphenyl-4-yl)ethyl)-2-methylpyrrolidine (APD916)

  摘要：

  The design of a new clinical candidate histamine-H-3 receptor antagonist for the potential treatment of excessive daytime sleepiness (EDS) is described. Phenethyl-R-2-methylpyrrolidine containing biphenylsulfonamide compounds were modified by replacement of the sulfonamide linkage with a sulfone. One compound from this series, 2j (APD916) increased wakefulness in rodents as measured by polysomnography with a duration of effect consistent with its pharmacokinetic properties. The identification of a suitable salt form of 2j allowed it to be selected for further development. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.075
• 作为产物：
  描述：

  1-溴-3-甲氧基丙烷 、 4-溴苯硫酚 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 18.0h， 以90%的产率得到(4-bromophenyl)(3-methoxypropyl)sulfane
  参考文献：
  名称：

  Identification of biaryl sulfone derivatives as antagonists of the histamine H3 receptor: Discovery of (R)-1-(2-(4′-(3-methoxypropylsulfonyl)biphenyl-4-yl)ethyl)-2-methylpyrrolidine (APD916)

  摘要：

  The design of a new clinical candidate histamine-H-3 receptor antagonist for the potential treatment of excessive daytime sleepiness (EDS) is described. Phenethyl-R-2-methylpyrrolidine containing biphenylsulfonamide compounds were modified by replacement of the sulfonamide linkage with a sulfone. One compound from this series, 2j (APD916) increased wakefulness in rodents as measured by polysomnography with a duration of effect consistent with its pharmacokinetic properties. The identification of a suitable salt form of 2j allowed it to be selected for further development. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.075

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。