3-氯-N-(2-氯苄基)丙酰胺 | 103038-66-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氯-N-(2-氯苄基)丙酰胺
• 英文名称: 3-chloro-N-(2-chloro-benzyl)-propionamide
• 英文别名: 3-chloro-propionic acid-(2-chloro-benzylamide)；3-Chlor-propionsaeure-(2-chlor-benzylamid)；3-chloro-N-(2-chlorobenzyl)propanamide；3-chloro-N-[(2-chlorophenyl)methyl]propanamide
• CAS: 103038-66-0
• 化学式: C₁₀H₁₁Cl₂NO
• mdl: MFCD08569859
• 分子量: 232.109
• InChiKey: UDCPSNFIOXHTMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  3-氯-N-(2-氯苄基)丙酰胺 、 5-(吡啶-4-基)-1,3,4-噻二唑-2-硫醇 在 sodium ethanolate 作用下， 以 乙醇 、 水 为溶剂， 反应 8.0h， 以60%的产率得到N-(2-chlorobenzyl)-3-(5-(pyridin-4-yl)-1,3,4-thiadiazol-2-ylthio)propanamide
  参考文献：
  名称：

  Linked pyridinyl-thiadiazoles: Design and synthesis as potential candidate for treatment of XDR and MDR tuberculosis

  摘要：

  Multi-drug resistant (MDR) and extremely drug resistant (XDR) Mycobacterium tuberculosis strains have turned tuberculosis (TB) as "on the verge of eradication" to "most life threatening" disease. Furthermore, synergy with HIV and other immunosuppressive disease have strengthened its prevalence. This research reports small molecule anti-infectives which are specifically potent against several strains and isolates of TB. The hit compound 7f has also proved to be active against almost 25 clinical isolates comparable to marketed anti-TB agents. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.07.039

文献信息

• Synthese und Pharmakologie von N-Aminoacyl-benzylaminen
  作者：G. S. Sidhu、P. B. Sattur、Y. S. Sadanandam

  DOI：10.1002/ardp.19733060411

  日期：——

  Eine große Anzahl von N‐Aminoacyl‐benzylaminen wurde hergestellt. Ihre antipyretischen, entzündungshemmenden und antikonvulsiven Eigenschaften sowie ihre pharmakologische Wirkung auf das Zentralnervensystem wurden im Tierversuch getestet. Versuche zur Struktur‐Wirkungsbeziehung wurden unternommen.

  已经制备了大量的N-氨酰基-苄胺。它们的解热、抗炎和抗惊厥特性以及它们对中枢神经系统的药理作用已在动物实验中得到测试。已经尝试建立结构-活动关系。
• Linked pyridinyl-thiadiazoles: Design and synthesis as potential candidate for treatment of XDR and MDR tuberculosis
  作者：Niranjan S. Mahajan、S.C. Dhawale

  DOI：10.1016/j.ejmech.2015.07.039

  日期：2015.9

  Multi-drug resistant (MDR) and extremely drug resistant (XDR) Mycobacterium tuberculosis strains have turned tuberculosis (TB) as "on the verge of eradication" to "most life threatening" disease. Furthermore, synergy with HIV and other immunosuppressive disease have strengthened its prevalence. This research reports small molecule anti-infectives which are specifically potent against several strains and isolates of TB. The hit compound 7f has also proved to be active against almost 25 clinical isolates comparable to marketed anti-TB agents. (C) 2015 Elsevier Masson SAS. All rights reserved.