1-Methyl-1-propan-2-ylurea | 953727-82-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1-Methyl-1-propan-2-ylurea
• CAS: 953727-82-7
• 化学式: C₅H₁₂N₂O
• 分子量: 116.163
• InChiKey: DVMXUBXASQPMOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-benzyloxy-9-bromo-2-[5-(4-fluoro-benzyl)-thiazol-2-yl]-7-morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one 、 1-Methyl-1-propan-2-ylurea 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 甲苯 为溶剂， 生成 3-(3-(benzyloxy)-2-(5-(4-fluorobenzyl)thiazol-2-yl)-7-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl)-1-isopropyl-1-methylurea
  参考文献：
  名称：

  Discovery of potent HIV integrase inhibitors active against raltegravir resistant viruses

  摘要：

  A series of novel HIV integrase inhibitors active against rategravir resistant strains are reported. Initial SAR studies revealed that activities against wild-type virus were successfully maintained at single digit nanomolar level with a wide range of substitutions. However, inclusion of nitrogen-based cyclic substitutions was crucial for achieving potency against mutant viruses. Several compounds with excellent activities against wild-type virus as well as against the viruses with the mutations Q148H/G140S or N155H/E92Q were reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.041

文献信息

• Discovery of potent HIV integrase inhibitors active against raltegravir resistant viruses
  作者：Giang Le、Nick Vandegraaff、David I. Rhodes、Eric D. Jones、Jonathan A.V. Coates、Long Lu、Xinming Li、Changjiang Yu、Xiao Feng、John J. Deadman

  DOI：10.1016/j.bmcl.2010.07.041

  日期：2010.9

  A series of novel HIV integrase inhibitors active against rategravir resistant strains are reported. Initial SAR studies revealed that activities against wild-type virus were successfully maintained at single digit nanomolar level with a wide range of substitutions. However, inclusion of nitrogen-based cyclic substitutions was crucial for achieving potency against mutant viruses. Several compounds with excellent activities against wild-type virus as well as against the viruses with the mutations Q148H/G140S or N155H/E92Q were reported. (C) 2010 Elsevier Ltd. All rights reserved.