ethyl 5-bromo-7-nitrobenzofuran-2-carboxylate | 1221448-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: ethyl 5-bromo-7-nitrobenzofuran-2-carboxylate
• 英文别名: 5-bromo-7-nitrobenzofuran-2-carboxylic acid ethyl ester；ethyl 5-bromo-7-nitro-1-benzofuran-2-carboxylate
• CAS: 1221448-66-3
• 化学式: C₁₁H₈BrNO₅
• 分子量: 314.092
• InChiKey: ZAIZUIZXYBYBJF-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：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  85.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 5-bromo-7-nitrobenzofuran-2-carboxylate 在 铜 喹啉 、 lithium hydroxide monohydrate 、 水 作用下， 以 乙醇 为溶剂， 反应 19.0h， 生成 5-bromo-7-nitro-1-benzofuran
  参考文献：
  名称：

  EP2338887

  摘要：

  公开号：
• 作为产物：
  描述：

  5-溴-3-硝基水杨醛 、 溴代丙二酸二乙酯 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 生成 ethyl 5-bromo-7-nitrobenzofuran-2-carboxylate
  参考文献：
  名称：

  The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors

  摘要：

  Novel benzofuran-2-carboxylic acids, exemplified by 29, 38 and 39, have been discovered as potent Pim-1 inhibitors using fragment based screening followed by X-ray structure guided medicinal chemistry optimization. The compounds demonstrate potent inhibition against Pim-1 and Pim-2 in enzyme assays. Compound 29 has been tested in the Ambit 442 kinase panel and demonstrates good selectivity for the Pim kinase family. X-ray structures of the inhibitor/Pim-1 binding complex reveal important salt-bridge and hydrogen bond interactions mediated by the compound's carboxylic acid and amino groups. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.030

文献信息

• [EN] ORAL COMPLEMENT FACTOR D INHIBITORS<br/>[FR] INHIBITEURS ORAUX DU FACTEUR D DU COMPLÉMENT
  申请人：BIOCRYST PHARM INC

  公开号：WO2021072198A1

  公开（公告）日：2021-04-15

  Disclosed are compounds of formula (I), and pharmaceutically acceptable salts thereof, which are inhibitors of the complement system. Also provided are pharmaceutical compositions comprising such a compound, and methods of using the compounds and compositions in the treatment or prevention of a disease or condition characterized by aberrant complement system activity.

  揭示了式(I)的化合物及其药学上可接受的盐，这些化合物是裂解系统的抑制剂。还提供了包含这种化合物的药物组合物，以及使用这些化合物和组合物治疗或预防由异常裂解系统活性特征的疾病或状况的方法。
• FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Shimizu Kazuo

  公开号：US20110201815A1

  公开（公告）日：2011-08-18

  The present invention provides compounds useful as agents for the prevention or treatment of a disease associated with abnormal plasma uric acid level and the like. The present invention relates to fused heterocyclic derivatives represented by the following formula (I) having xanthine oxidase inhibitory activities and useful as agents for the prevention or treatment of a disease associated with abnormality of plasma uric acid level, prodrugs thereof, salts thereof or the like. In the formula (I), T represents trifluoromethyl, nitro or cyano; ring Q represents heteroaryl; X 1 and X 2 independently represent CH or N; ring U represents aryl or heteroaryl; m represents integral number from 0 to 2; n represents integral number from 0 to 3; R 1 represents a hydroxy group, amino or C 1-6 alkyl; R 2 represents C 1-6 alkyl, C 1-6 alkoxy C 1-6 alkyl or the like.

  本发明提供了化合物，可用作预防或治疗与异常血浆尿酸水平等疾病有关的药物。本发明涉及以下公式（I）所表示的融合杂环衍生物，具有黄嘌呤氧化酶抑制活性，并且可用作预防或治疗与血浆尿酸水平异常有关的疾病的药物，其前体化合物，盐或类似物。在公式（I）中，T表示三氟甲基，硝基或氰基；环Q表示杂环芳基；X1和X2分别表示CH或N；环U表示芳基或杂环芳基；m表示从0到2的整数；n表示从0到3的整数；R1表示羟基，氨基或C1-6烷基；R2表示C1-6烷基，C1-6烷氧基C1-6烷基或类似物。
• The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
  作者：Yibin Xiang、Bradford Hirth、Gary Asmussen、Hans-Peter Biemann、Kimberly A. Bishop、Andrew Good、Maria Fitzgerald、Tatiana Gladysheva、Annuradha Jain、Katherine Jancsics、Jinyu Liu、Markus Metz、Andrew Papoulis、Renato Skerlj、J. David Stepp、Ronnie R. Wei

  DOI：10.1016/j.bmcl.2011.03.030

  日期：2011.5

  Novel benzofuran-2-carboxylic acids, exemplified by 29, 38 and 39, have been discovered as potent Pim-1 inhibitors using fragment based screening followed by X-ray structure guided medicinal chemistry optimization. The compounds demonstrate potent inhibition against Pim-1 and Pim-2 in enzyme assays. Compound 29 has been tested in the Ambit 442 kinase panel and demonstrates good selectivity for the Pim kinase family. X-ray structures of the inhibitor/Pim-1 binding complex reveal important salt-bridge and hydrogen bond interactions mediated by the compound's carboxylic acid and amino groups. (C) 2011 Elsevier Ltd. All rights reserved.
• EP2338887
  申请人：——

  公开号：——

  公开（公告）日：——