2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetic acid | 1121771-17-2

• 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: 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetic acid
• CAS: 1121771-17-2
• 化学式: C₉H₈N₂O₄
• 分子量: 208.174
• InChiKey: BFTKZKQYZYWCOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  87.7
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetic acid 、 在 氰基磷酸二乙酯 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以73%的产率得到6-[[2-[(3R)-4-(4-chloro-3-methylphenyl)-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3H-1,3-benzoxazol-2-one
  参考文献：
  名称：

  EP2184272

  摘要：

  公开号：
• 作为产物：
  描述：

  ethyl 2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 1.0h， 以62%的产率得到2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetic acid
  参考文献：
  名称：

  EP2184272

  摘要：

  公开号：

文献信息

• PIPERAZINE DERIVATIVE
  申请人：Shionogi&Co., Ltd.

  公开号：EP2184272A1

  公开（公告）日：2010-05-12

  A compound which specifically binds to a receptor of NR1/ NR2B, and is used as a NR2B receptor antagonist is provided. It has been found out that a piperazine derivative represented by the formula (I) binds specifically to a receptor of NR1/NR2B, and is used as a NR2B receptor antagonist. A compound represented by: wherein R1 is each independently C1-C3 alkyl or the like, m is an integer of 0 to 4, X is -N(R4)-C(=O)-C(=O)-, -N(R4)-(CR5R6)p-C(=O)-, -N(R4)-C(-O)-(CR7R8)q- or -C(=O)-N(R4)-(CR7R8)q-, p and q are each independently an integer of 1 to 3, R4, R5, R6, R7 and R8 are each independently a hydrogen atom or lower alkyl, A1 is benzoxazolinone or the like, and A2 is optionally substituted phenyl or the like, or a pharmaceutically acceptable salt or a solvate thereof.

  提供了一种能与 NR1/ NR2B 受体特异性结合并用作 NR2B 受体拮抗剂的化合物。 研究发现，由式（I）代表的哌嗪衍生物能与 NR1/NR2B 受体特异性结合，并可用作 NR2B 受体拮抗剂。 由以下式子代表的化合物 其中 R1 各自独立地为 C1-C3 烷基或类似物，m 为 0 至 4 的整数，X 为-N(R4)-C(＝O)-C(＝O)-、-N(R4)-(CR5R6)p-C(＝O)-、-N(R4)-C(-O)-(CR7R8)q-或-C(＝O)-N(R4)-(CR7R8)q-，p 和 q 各自独立地为 1 至 3 的整数、R4、R5、R6、R7 和 R8 各自独立地为氢原子或低级烷基，A1 为苯并恶唑啉酮或类似物，A2 为任选取代的苯基或类似物，或其药学上可接受的盐或溶液。
• PIPERAZINE DERIVATIVES
  申请人：Masui Moriyasu

  公开号：US20110251212A1

  公开（公告）日：2011-10-13

  A compound which specifically binds to a receptor of NR1/NR2B, and is used as a NR2B receptor antagonist is provided. It has been found out that a piperazine derivative represented by the formula (I) binds specifically to a receptor of NR1/NR2B, and is used as a NR2B receptor antagonist. A compound represented by: wherein R 1 is each independently C1-C3 alkyl or the like, m is an integer of 0 to 4, X is —N(R 4 )—C(═O)—C(═O)—, —N(R 4 )—(CR 5 R 6 ) p —C(═O)—, —N(R 4 )—C(═O)—(CR 7 R 8 ) q — or —C(═O)—N(R 4 )—(CR 7 R 8 ) q —, p and q are each independently an integer of 1 to 3, R 4 , R 5 , R 6 , R 7 and R 8 are each independently a hydrogen atom or lower alkyl, A 1 is benzoxazolinone or the like, and A 2 is optionally substituted phenyl or the like, or a pharmaceutically acceptable salt or a solvate thereof.