(1,1,4-trimethyl-pentyl)-urea | 98952-24-0

• 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: (1,1,4-trimethyl-pentyl)-urea
• 英文别名: (1,1,4-Trimethyl-pentyl)-harnstoff；2,5-Dimethylhexan-2-ylurea
• CAS: 98952-24-0
• 化学式: C₉H₂₀N₂O
• 分子量: 172.271
• InChiKey: VRDFEVYGHJNTGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,5-二甲基-2-己醇 、 尿素 在 硫酸 作用下， 生成 (1,1,4-trimethyl-pentyl)-urea
  参考文献：
  名称：

  Urbanskaja, Zhurnal Obshchei Khimii, 1959, vol. 29, p. 174,178; engl. Ausg. S. 177, 180

  摘要：

  DOI：

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 11SS-HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORY ACTIVITY
  申请人：Masuda Koji

  公开号：US20100240659A1

  公开（公告）日：2010-09-23

  Disclosed is a compound which is useful as an 11β-hydroxysteroid dehydrogenase type 1 inhibitor. A compound represented by the formula: , its pharmaceutically acceptable salt, or a solvate thereof, wherein Ring A is a group represented by the formula: Ring B is optionally substituted heteroaryl, provided that optionally substituted isoxazole is excluded, or optionally substituted heterocycle, R 1 is hydrogen or optionally substituted alkyl, R 2 is —OR 5 , —SR 5 , halogen, halogenated alkyl or the like, R 3 is optionally substituted alkyl or the like, R 4 is optionally substituted alkyl or the like, R 5 is optionally substituted alkyl or the like, R 6 is hydrogen or the like, R 7 and R 8 are each independently hydrogen or the like, R 10 and R 11 are each independently hydrogen or the like, R 12 is optionally substituted alkyl or the like, m and p are each independently integer of 1 to 3.
• US8383622B2
  申请人：——

  公开号：US8383622B2

  公开（公告）日：2013-02-26
• Urbanskaja, Zhurnal Obshchei Khimii, 1959, vol. 29, p. 174,178; engl. Ausg. S. 177, 180
  作者：Urbanskaja

  DOI：——

  日期：——