methyl 5-(4-oxobutyl)thiophene-2-carboxylate | 76865-51-5

• 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: methyl 5-(4-oxobutyl)thiophene-2-carboxylate
• CAS: 76865-51-5
• 化学式: C₁₀H₁₂O₃S
• 分子量: 212.269
• InChiKey: LLXASIAOJQTYFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 5-(4-oxobutyl)thiophene-2-carboxylate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 caesium carbonate 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 77.0h， 生成 Methyl 5-[3-[3-(4-hexanoylphenyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylate
  参考文献：
  名称：

  THERAPEUTIC OXAZOLIDINONES AND THIAZOLIDINONES

  摘要：

  本文揭示了一种由公式表示的化合物。相关的治疗方法、组合物和药物也被揭示。

  公开号：

  US20090054505A1
• 作为产物：
  描述：

  methyl 5-(4-hydroxybutyl)thiophene-2-carboxylate 生成 methyl 5-(4-oxobutyl)thiophene-2-carboxylate
  参考文献：
  名称：

  THERAPEUTIC OXAZOLIDINONES AND THIAZOLIDINONES

  摘要：

  本文揭示了一种由公式表示的化合物。相关的治疗方法、组合物和药物也被揭示。

  公开号：

  US20090054505A1

文献信息

• Interphenylene 9-thia-11-oxo-12-aza-prostanoic acids
  申请人：Merck & Co., Inc.

  公开号：US04225609A1

  公开（公告）日：1980-09-30

  This invention relates to novel interphenylene 9-thia-11-oxo-12-azaprostanoic acid compounds, salts, and derivatives thereof. These compounds are exceptionally potent renal vasodilators and antihypertensives which are active when administered orally but which have a more specific type of biological activity than that of many of the natural prostaglandins and their synthetic analogs or derivatives.

  这项发明涉及新型的间苯二酚9-硫-11-酮-12-氮代前列腺酸化合物、盐和衍生物。这些化合物在口服后表现出异常强大的肾脏扩血管作用和降压作用，但其生物活性比许多天然前列腺素及其合成类似物或衍生物具有更特定的类型。
• THERAPEUTIC SUBSTITUTED THIAZOLIDINONES, OXAZOLIDINONES, AND RELATED COMPOUNDS
  申请人：Old W. David

  公开号：US20080058387A1

  公开（公告）日：2008-03-06

  A compound having a structure is disclosed herein. Therapeutic methods, compositions, and medicaments related thereto are also disclosed.

  本文披露了一种具有结构的化合物。还披露了与其相关的治疗方法、组成物和药物。
• Novel 5-Substituted Pyrrolo[2,3-<i>d</i>]pyrimidines as Dual Inhibitors of Glycinamide Ribonucleotide Formyltransferase and 5-Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase and as Potential Antitumor Agents
  作者：Yiqiang Wang、Shermaine Mitchell-Ryan、Sudhir Raghavan、Christina George、Steven Orr、Zhanjun Hou、Larry H. Matherly、Aleem Gangjee

  DOI：10.1021/jm501787c

  日期：2015.2.12

  A new series of 5-substituted thiopheneyl pyrrolo[2,3-d]pyrimidines 6-11 with varying chain lengths (n = 1-6) were designed and synthesized as hybrids of the clinically used anticancer drug pemetrexed (PMX) and our 6-substituted thiopheneyl pyrrolo[2,3-d]pyrimidines 2c and 2d with folate receptor (FR) a and proton-coupled folate transporter (PCFT) uptake specificity over the reduced folate carrier (RFC) and inhibition of de novo purine nucleotide biosynthesis at glycinamide ribonucleotide formyltransferase (GARFTase). Compounds 6-11 inhibited KB human tumor cells in the order 9 = 10 > 8 > 7 > 6 = 11. Compounds 8-10 were variously transported by FRa, PCFT, and RFC and, unlike PMX, inhibited de novo purine nucleotide rather than thymidylate biosynthesis. The antiproliferative effects of 8 and 9 appeared to be due to their dual inhibitions of both GARFTase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase. Our studies identify a unique structure-activity relationship for transport and dual target inhibition.
• US4225609A
  申请人：——

  公开号：US4225609A

  公开（公告）日：1980-09-30
• US7659295B2
  申请人：——

  公开号：US7659295B2

  公开（公告）日：2010-02-09