1-(1-chloroethyl)-3-(methylsulfonyl)benzene | 911715-98-5

• 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-(1-chloroethyl)-3-(methylsulfonyl)benzene
• 英文别名: 1-(1-chloroethyl)-3-methylsulfonylbenzene
• CAS: 911715-98-5
• 化学式: C₉H₁₁ClO₂S
• 分子量: 218.704
• InChiKey: XXXFPGQYDVAWMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-[3-(methylsulfonyl)phenyl]ethanol 在 氯化亚砜 、 N,N-二乙基苯胺 作用下， 以 甲苯 为溶剂， 反应 0.5h， 生成 1-(1-chloroethyl)-3-(methylsulfonyl)benzene
  参考文献：
  名称：

  WO2006/107257

  摘要：

  公开号：

文献信息

• Novel 5,7-Disubstituted [1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 794
  申请人：Nordvall Gunnar

  公开号：US20090124637A1

  公开（公告）日：2009-05-14

  There are disclosed novel 5,7-disubstituted [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one derivatives of formula (I) [Chemical formula should be inserted here. Please see paper copy] wherein R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the specification, and pharmaceutically acceptable salts thereof, together with processes for their preparation, pharmaceutical compositions comprising them and their use in therapy. The compounds of formula (I) are CX 3 CR 1 receptor antagonists and are thereby particularly useful in the treatment or prophylaxis of neurodegenerative disorders, demyelinating disease, cardio- and cerebrovascular atherosclerotic disorders, peripheral artery disease, rheumatoid arthritis, pulmonary diseases such as COPD, asthma or pain.

  本文揭示了新颖的5,7-二取代[1,3]噻唑并[4,5-d]嘧啶-2(3H)-酮衍生物的公式(I) [化学式应在此处插入。请参见纸质复印件]，其中R1、R2、R3、R4和R5如规范中定义的那样，以及其药学上可接受的盐，以及它们的制备方法、包含它们的制剂和它们在治疗中的用途。公式(I)化合物是CX3CR1受体拮抗剂，因此在神经退行性疾病、脱髓鞘疾病、心脑血管动脉粥样硬化性疾病、周围动脉疾病、类风湿性关节炎、COPD、哮喘或疼痛的治疗或预防中特别有用。
• 5,7-disubstituted thiazolo[4,5-D]pyrimidines for the selective inhibition of chemokine receptors
  申请人：AstraZeneca AB

  公开号：US08088780B2

  公开（公告）日：2012-01-03

  There are disclosed novel 5,7-disubstituted [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one derivatives of formula (I) wherein R1, R2, R3, R4 and R5 are as defined in the specification, and pharmaceutically acceptable salts thereof, together with processes for their preparation, pharmaceutical compositions comprising them and their use in therapy. The compounds of formula (I) are CX3CR1 receptor antagonists and are thereby particularly useful in the treatment or prophylaxis of neurodegenerative disorders, demyelinating disease, cardio- and cerebrovascular atherosclerotic disorders, peripheral artery disease, rheumatoid arthritis, pulmonary diseases such as COPD, asthma or pain.

  公开了一种新的5,7-二取代[1,3]噻唑并[4,5-d]嘧啶-2(3H)-酮衍生物的化学式(I)，其中R1、R2、R3、R4和R5在规范中定义，并且其药学上可接受的盐，以及其制备过程、包含它们的制药组合物和它们在治疗中的用途。化合物(I)是CX3CR1受体拮抗剂，因此在治疗或预防神经退行性疾病、脱髓鞘性疾病、心血管和脑血管动脉粥样硬化性疾病、外周动脉疾病、类风湿性关节炎、慢性阻塞性肺疾病、哮喘或疼痛方面特别有用。
• NOVEL 5,7-DISUBSTITUTED Ý1,3¨THIAZOLOÝ4,5-D¨PYRIMIDIN-2(3H)-ONE DERIVATIVES
  申请人：AstraZeneca AB

  公开号：EP1869055A1

  公开（公告）日：2007-12-26
• US8088780B2
  申请人：——

  公开号：US8088780B2

  公开（公告）日：2012-01-03
• [EN] NOVEL 5,7-DISUBSTITUTED [1,3]THIAZOLO[4,5-D]PYRIMIDIN-2(3H)-ONE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE [1,3]THIAZOLO[4,5-d]PYRIMIDIN-2(3H)-ONE 5,7-DISUBSTITUÉ
  申请人：ASTRAZENECA AB

  公开号：WO2006107257A1

  公开（公告）日：2006-10-12

  [EN] There are disclosed novel 5,7-disubstituted [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one derivatives of formula (I) [Chemical formula should be inserted here. Please see paper copy] wherein R¹, R², R³, R⁴ and R⁵ are as defined in the specification, and pharmaceutically acceptable salts thereof, together with processes for their preparation, pharmaceutical compositions comprising them and their use in therapy. The compounds of formula (I) are CX₃CR1 receptor antagonists and are thereby particularly useful in the treatment or prophylaxis of neurodegenerative disorders, demyelinating disease, cardio- and cerebrovascular atherosclerotic disorders, peripheral artery disease, rheumatoid arthritis, pulmonary diseases such as COPD, asthma or pain.
  [FR] Il est exposé de nouveaux dérivés de [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one 5,7-disubstitué de formule (I) [insérer ici la formule chimique ; voir la copie papier] où R¹, R², R³, R⁴ et R⁵ sont tels que définis dans la description et des sels acceptables du point de vue pharmaceutique de ceux-ci, ainsi que des procédés pour leur préparation, des compositions pharmaceutiques les comprenant et leur utilisation en thérapie. Les composés de formule (I) sont des antagonistes du récepteur CX3CR1 et sont par conséquent particulièrement utiles dans le traitement ou la prophylaxie de maladies neurodégénératives, d'une démyélinisation, d'athéroscléroses coronariennes et cérébrovasculaires, d'une maladie artérielle périphérique, de la polyarthrite rhumatoïde, de maladies pulmonaires telles que la bronchopneumopathie obstructive chronique (BPCO), de l'asthme ou de la douleur.