3-(2-ethoxycarbonyl-acetylamino)-thiophene-2-carboxylic acid methyl ester | 74695-29-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3-(2-ethoxycarbonyl-acetylamino)-thiophene-2-carboxylic acid methyl ester
• 英文别名: methyl 3-{[3-(ethyloxy)-3-oxopropanoyl]amino}-2-thiophenecarboxylate；Methyl 3-(3-ethoxy-3-oxopropanamido)thiophene-2-carboxylate；methyl 3-[(3-ethoxy-3-oxopropanoyl)amino]thiophene-2-carboxylate
• CAS: 74695-29-7
• 化学式: C₁₁H₁₃NO₅S
• mdl: MFCD00122054
• 分子量: 271.294
• InChiKey: LTCSMUFZKQUERN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(2-ethoxycarbonyl-acetylamino)-thiophene-2-carboxylic acid methyl ester 在 sodium ethanolate 、 盐酸 、 水 作用下， 以 乙醇 为溶剂， 以55%的产率得到6-ethoxycarbonyl-7-hydroxythieno<3,2-b>pyridin-5(4H)-one
  参考文献：
  名称：

  WO2006/102191

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氨基-2-噻吩甲酸甲酯 、 氯甲酰乙酸乙酯 在 吡啶 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以63%的产率得到3-(2-ethoxycarbonyl-acetylamino)-thiophene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  WO2006/102191

  摘要：

  公开号：

文献信息

• HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38
  申请人：Ribon Therapeutics, Inc.

  公开号：US20210032251A1

  公开（公告）日：2021-02-04

  The present invention relates to heterobicyclic amides and related compounds which are inhibitors of CD38 and are useful in the treatment of cancer.

  本发明涉及杂环酰胺及相关化合物，它们是CD38的抑制剂，可用于治疗癌症。
• TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES
  申请人：Sircar Jagadish

  公开号：US20080139551A1

  公开（公告）日：2008-06-12

  treatment of a variety of disorders, including the treatment of pathological conditions associated with tumor necrosis factor alpha. The inhibitors of tumor necrosis factor alpha have the following structures: including stereoisomers, pharmaceutically acceptable salts, and solvates thereof, wherein substituents are as defined herein. Compositions containing an inhibitor of tumor necrosis factor alpha in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  治疗各种疾病，包括与肿瘤坏死因子α相关的病理条件的治疗。肿瘤坏死因子α的抑制剂具有以下结构：包括立体异构体、药用可接受的盐和溶剂，其中取代基如本文所定义。还提供了含有肿瘤坏死因子α抑制剂与药用可接受载体结合的组合物，以及使用方法。
• Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors
  申请人：Sircar Jagadish

  公开号：US20060229314A1

  公开（公告）日：2006-10-12

  Inhibitors of macrophage migration inhibitory factor having a thienopyridinone backbone are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with macrophage migration inhibitory factor activity. The inhibitors of macrophage migration inhibitory factor have the following structures: including forms such as stereoisomers, free forms, pharmaceutically acceptable salts or esters thereof, solvates, or combinations of such forms, wherein n, R 1 , R 2 , R 3 , X, and Y are as defined herein. Compositions comprising an inhibitor of macrophage migration inhibitory factor in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了具有噻吩并吡啶骨架的巨噬细胞迁移抑制因子抑制剂，其在治疗多种疾病中具有用途，包括治疗与巨噬细胞迁移抑制因子活性相关的病理条件。巨噬细胞迁移抑制因子的抑制剂具有以下结构：包括立体异构体、自由形态、药学上可接受的盐或酯、溶剂化物或这些形式的组合，其中n、R1、R2、R3、X和Y如本文所定义。还提供了包含巨噬细胞迁移抑制因子抑制剂与药学上可接受的载体组合的组合物，以及使用它们的方法。
• THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS
  申请人：Sircar Jagadish

  公开号：US20070179149A1

  公开（公告）日：2007-08-02

  Inhibitors of macrophage migration inhibitory factor having a thienopyridinone backbone are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with macrophage migration inhibitory factor activity. The inhibitors of macrophage migration inhibitory factor have the following structures: including forms such as stereoisomers, free forms, pharmaceutically acceptable salts or esters thereof, solvates, or combinations of such forms, wherein n, R 1 , R 2 , R 3 , X, and Y are as defined herein. Compositions comprising an inhibitor of macrophage migration inhibitory factor in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了具有噻唑吡啶骨架的巨噬细胞迁移抑制因子抑制剂，其在治疗各种疾病中具有用途，包括与巨噬细胞迁移抑制因子活性相关的病理条件的治疗。巨噬细胞迁移抑制因子的抑制剂具有以下结构：包括立体异构体、自由形式、药学上可接受的盐或酯、溶剂化合物或这些形式的组合，其中n、R1、R2、R3、X和Y的定义如此处所述。还提供了包含巨噬细胞迁移抑制因子抑制剂与药学上可接受的载体组合的组合物，以及使用它们的方法。
• PROLYL HYDROXYLASE INHIBITORS
  申请人：Fitch Duke M.

  公开号：US20090176825A1

  公开（公告）日：2009-07-09

  The invention described herein relates to certain bicyclic heteroaromatic N-substituted glycine derivatives of formula (I) which are antagonists of HIF prolyl hydroxylases and are useful for treating diseases benefiting from the inhibition of this enzyme, anemia being one example.

  本发明涉及公式(I)的某些双环杂环N-取代甘氨酸衍生物，它们是HIF脯氨酸羟化酶的拮抗剂，适用于治疗受益于抑制该酶的疾病，例如贫血。