phenyl N-(2-oxo-3H-1,3-benzoxazol-6-yl)carbamate | 948022-70-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: phenyl N-(2-oxo-3H-1,3-benzoxazol-6-yl)carbamate
• CAS: 948022-70-6
• 化学式: C₁₄H₁₀N₂O₄
• 分子量: 270.244
• InChiKey: YAODRNUWVMPHHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[4-(trifluoromethyl)phenyl]-4-piperidinamine 、 phenyl N-(2-oxo-3H-1,3-benzoxazol-6-yl)carbamate 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以59%的产率得到1-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]urea
  参考文献：
  名称：

  EP1988077

  摘要：

  公开号：

文献信息

• NIROGENOUS HETEROCYCLIC DERIVATIVES SUBSTITUTED WITH CYCLIC GROUPS
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1988077A1

  公开（公告）日：2008-11-05

  It was found out that the nitrogen-containing heterocyclic derivative represented by the formula (I) specifically binds to a receptor of NR1/NR2B, and is used as a NR2B receptor antagonist. A compound represented by: wherein Z is N or CR1, A1 is a nitrogen-containing aromatic monocyclic group which is optionally substituted, a nitrogen-containing aromatic fused cyclic group which is optionally substituted etc., A2 is an aromatic hydrocarbon cyclic group or an aromatic heterocyclic group, each optionally having a substituent, R1, R2, Ra, Rb, Rc and Rd are each independently hydrogen, hydroxy, etc., w is 2 or 3, t is 1 or 2, X is -(CR3R4)m-, -CO(CR3R4)n-, -CONR5(CR3R4)n- etc., m is an integer of 1 to 4, n is an integer of 0 to 4, R3 and R4 are each independently hydrogen, halogen, hydroxy etc., and R5 is hydrogen or lower alkyl, or a pharmaceutically acceptable salt, or a solvate thereof.

  研究发现，由式（I）代表的含氮杂环衍生物能与 NR1/NR2B 受体特异性结合，可用作 NR2B 受体拮抗剂。 由式（I）代表的化合物 其中 Z 是 N 或 CR1，A1 是任选被取代的含氮芳香族单环基团、任选被取代的含氮芳香族融合环基团等，A2 是芳香烃环基团或芳香杂环基团，各自任选具有一个取代基，R1、R2、Ra、Rb、Rc 和 Rd 各自独立地是氢、羟基等、w 是 2 或 3，t 是 1 或 2，X 是-(CR3R4)m-、-CO(CR3R4)n-、-CONR5(CR3R4)n- 等，m 是 1 至 4 的整数，n 是 0 至 4 的整数，R3 和 R4 各自独立地是氢、卤素、羟基等，R5 是氢或低级烷基、 或其药学上可接受的盐或溶液。
• NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUP
  申请人：Masui Moriyasu

  公开号：US20090062261A1

  公开（公告）日：2009-03-05

  It was found out that the nitrogen-containing heterocyclic derivative represented by the formula (I) specifically binds to a receptor of NR1/NR2B, and is used as a NR2B receptor antagonist. A compound represented by: wherein Z is N or CR 1 , A 1 is a nitrogen-containing aromatic monocyclic group which is optionally substituted, a nitrogen-containing aromatic fused cyclic group which is optionally substituted etc., A 2 is an aromatic hydrocarbon cyclic group or an aromatic heterocyclic group, each optionally having a substituent, R 1 , R 2 , R a , R b , R c and R d are each independently hydrogen, hydroxy, etc., w is 2 or 3, t is 1 or 2, X is —(CR 3 R 4 )m-, —CO(CR 3 R 4 )n-, —CONR 5 (CR 3 R 4 )n- etc., m is an integer of 1 to 4, n is an integer of 0 to 4, R 3 and R 4 are each independently hydrogen, halogen, hydroxy etc., and R 5 is hydrogen or lower alkyl, or a pharmaceutically acceptable salt, or a solvate thereof.
• US7935706B2
  申请人：——

  公开号：US7935706B2

  公开（公告）日：2011-05-03
• EP1988077
  申请人：——

  公开号：——

  公开（公告）日：——