5-Nitro-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid methyl ester | 329260-23-3

• 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: 5-Nitro-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid methyl ester
• 英文别名: Methyl 3-[(4-methylphenyl)carbamoylamino]-5-nitrothiophene-2-carboxylate
• CAS: 329260-23-3
• 化学式: C₁₄H₁₃N₃O₅S
• 分子量: 335.34
• InChiKey: VRLQPFVGRISCOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Nitro-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid methyl ester 在 palladium on activated charcoal 氢气 作用下， 以14%的产率得到5-Amino-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  p38 Kinase inhibitors for the treatment of arthritis and osteoporosis: thienyl, furyl, and pyrrolyl ureas

  摘要：

  Inhibitors of the MAP kinase p38 are potentially useful for the treatment for osteoporosis, arthritis, and other inflammatory diseases. A series of thienyl, furyl, and pyrrolyl ureas has been identified as potent p38 inhibitors, displaying in vitro activity in the nanomolar range. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00574-6
• 作为产物：
  描述：

  3-(乙酰基氨基)-2-噻吩羧酸甲酯 在 硫酸 、 氢溴酸 、 硝酸 作用下， 生成 5-Nitro-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  p38 Kinase inhibitors for the treatment of arthritis and osteoporosis: thienyl, furyl, and pyrrolyl ureas

  摘要：

  Inhibitors of the MAP kinase p38 are potentially useful for the treatment for osteoporosis, arthritis, and other inflammatory diseases. A series of thienyl, furyl, and pyrrolyl ureas has been identified as potent p38 inhibitors, displaying in vitro activity in the nanomolar range. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00574-6

文献信息

• p38 Kinase inhibitors for the treatment of arthritis and osteoporosis: thienyl, furyl, and pyrrolyl ureas
  作者：Anikó M Redman、Jeffrey S Johnson、Robert Dally、Steve Swartz、Hanno Wild、Holger Paulsen、Yolanda Caringal、David Gunn、Joel Renick、Martin Osterhout、Jill Kingery-Wood、Roger A Smith、Wendy Lee、Jacques Dumas、Scott M Wilhelm、Timothy J Housley、Ajay Bhargava、Gerald E Ranges、Alka Shrikhande、Deborah Young、Michael Bombara、William J Scott

  DOI：10.1016/s0960-894x(00)00574-6

  日期：2001.1

  Inhibitors of the MAP kinase p38 are potentially useful for the treatment for osteoporosis, arthritis, and other inflammatory diseases. A series of thienyl, furyl, and pyrrolyl ureas has been identified as potent p38 inhibitors, displaying in vitro activity in the nanomolar range. (C) 2000 Elsevier Science Ltd. All rights reserved.