Methyl 2-(2-formylphenoxy)-5-nitrobenzoate | 1338782-20-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 2-(2-formylphenoxy)-5-nitrobenzoate
• 英文别名: methyl 2-(2-formylphenoxy)-5-nitrobenzoate
• CAS: 1338782-20-9
• 化学式: C₁₅H₁₁NO₆
• 分子量: 301.255
• InChiKey: LWGJQPWXRWQCQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 2-(2-formylphenoxy)-5-nitrobenzoate 在 sodium tetrahydroborate 、 三溴化磷 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 5-nitro-2-(2-bromomethylphenoxy)-benzoic acid methyl ester
  参考文献：
  名称：

  Discovery of inhibitors of plasminogen activator inhibitor-1: Structure–activity study of 5-nitro-2-phenoxybenzoic acid derivatives

  摘要：

  Two novel series of 5-nitro-2-phenoxybenzoic acid derivatives are designed as potent PAI-1 inhibitors using hybridization and conformational restriction strategy in the tiplaxtinin and piperazine chemo types. The lead compounds 5a, 6c, and 6e exhibited potent PAI-1 inhibitory activity and favorable oral bioavailability in the rodents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.031
• 作为产物：
  描述：

  2-氯-5-硝基苯甲酸甲酯 、 水杨醛 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 生成 Methyl 2-(2-formylphenoxy)-5-nitrobenzoate
  参考文献：
  名称：

  Discovery of inhibitors of plasminogen activator inhibitor-1: Structure–activity study of 5-nitro-2-phenoxybenzoic acid derivatives

  摘要：

  Two novel series of 5-nitro-2-phenoxybenzoic acid derivatives are designed as potent PAI-1 inhibitors using hybridization and conformational restriction strategy in the tiplaxtinin and piperazine chemo types. The lead compounds 5a, 6c, and 6e exhibited potent PAI-1 inhibitory activity and favorable oral bioavailability in the rodents. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.031

文献信息

• Discovery of inhibitors of plasminogen activator inhibitor-1: Structure–activity study of 5-nitro-2-phenoxybenzoic acid derivatives
  作者：Vrajesh Pandya、Mukul Jain、Ganes Chakrabarti、Hitesh Soni、Bhavesh Parmar、Balaji Chaugule、Jigar Patel、Jignesh Joshi、Nirav Joshi、Akshyaya Rath、Mehul Raviya、Mubeen Shaikh、Kalapatapu V.V.M. Sairam、Harilal Patel、Pankaj Patel

  DOI：10.1016/j.bmcl.2011.08.031

  日期：2011.10

  Two novel series of 5-nitro-2-phenoxybenzoic acid derivatives are designed as potent PAI-1 inhibitors using hybridization and conformational restriction strategy in the tiplaxtinin and piperazine chemo types. The lead compounds 5a, 6c, and 6e exhibited potent PAI-1 inhibitory activity and favorable oral bioavailability in the rodents. (C) 2011 Elsevier Ltd. All rights reserved.