2-(4-chlorophenyl)-4H-furo<3,2-b>pyrrole-5-carboxylic acid | 71971-10-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃吡咯
• 英文名称: 2-(4-chlorophenyl)-4H-furo<3,2-b>pyrrole-5-carboxylic acid
• 英文别名: 2-(4-chloro-phenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid；2-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
• CAS: 71971-10-3
• 化学式: C₁₃H₈ClNO₃
• 分子量: 261.664
• InChiKey: QDCKIJCFTKFENH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(4-chlorophenyl)-4H-furo<3,2-b>pyrrole-5-carboxylate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以70%的产率得到2-(4-chlorophenyl)-4H-furo<3,2-b>pyrrole-5-carboxylic acid
  参考文献：
  名称：

  Krutosikova, Alzbeta; Kovac, Jaroslav; Chudobova, Maria, Collection of Czechoslovak Chemical Communications, 1980, vol. 45, # 11, p. 2949 - 2957

  摘要：

  DOI：

文献信息

• The discovery of fused pyrrole carboxylic acids as novel, potent d-amino acid oxidase (DAO) inhibitors
  作者：Tim Sparey、Pravien Abeywickrema、Sarah Almond、Nick Brandon、Noel Byrne、Alister Campbell、Pete H. Hutson、Marlene Jacobson、Brian Jones、Sanjeev Munshi、Danette Pascarella、Andrew Pike、G. Sridhar Prasad、Nancy Sachs、Melanie Sakatis、Vinod Sardana、Shankar Venkatraman、Mary Beth Young

  DOI：10.1016/j.bmcl.2008.04.020

  日期：2008.6

  The 'NMDA hypofunction hypothesis of schizophrenia' can be tested in a number of ways. DAO is the enzyme primarily responsible for the metabolism of d-serine, a co-agonist for the NMDA receptor. We identified novel DAO inhibitors, in particular, acid 1, which demonstrated moderate potency for DAO in vitro and ex vivo, and raised plasma d-serine levels after dosing ip to rats. In parallel, analogues were prepared to survey the SARs of 1.
• Krutosikova,A. et al., Collection of Czechoslovak Chemical Communications, 1979, vol. 44, p. 1799 - 1804
  作者：Krutosikova,A. et al.

  DOI：——

  日期：——
• KRUTOSIKOVA A.; KOVAC J.; KRISTOFCAK FJ., COLLECT. CZECH. CHEM. COMMUN., 1979, 44, NO 6, 1979-1804
  作者：KRUTOSIKOVA A.、 KOVAC J.、 KRISTOFCAK FJ.

  DOI：——

  日期：——
• KRUTOSIKOVA A.; KOVAC J.; CHUDOBOVA M.; ILAVSKY D., COLLECT. CZECH. CHEM. COMMUN., 1980, 45, NO 11, 2949-2957
  作者：KRUTOSIKOVA A.、 KOVAC J.、 CHUDOBOVA M.、 ILAVSKY D.

  DOI：——

  日期：——
• Krutosikova, Alzbeta; Kovac, Jaroslav; Chudobova, Maria, Collection of Czechoslovak Chemical Communications, 1980, vol. 45, # 11, p. 2949 - 2957
  作者：Krutosikova, Alzbeta、Kovac, Jaroslav、Chudobova, Maria、Ilavsky, Dusan

  DOI：——

  日期：——