Ethyl 3-amino-5-tert-butylthiophene-2-carboxylate | 439693-51-3

• 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: Ethyl 3-amino-5-tert-butylthiophene-2-carboxylate
• CAS: 439693-51-3
• 化学式: C₁₁H₁₇NO₂S
• 分子量: 227.327
• InChiKey: UOEYFEKNMRMSRF-UHFFFAOYSA-N

物化性质

• 沸点：
  355.4±42.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  80.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 3-amino-5-tert-butylthiophene-2-carboxylate 在 potassium hydroxide 、 磷酸 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 生成 3-氨基-5-(2-甲基-2-丙基)-2-噻吩羧酸
  参考文献：
  名称：

  Synthesis of Novel 2-Thienylimino-1,3-thiazolidin-4-ones

  摘要：

  本文介绍了用 3-氨基噻吩-2-羧酸酯通过简单的四步程序制备新的 2-噻吩亚氨基-1,3-噻唑烷-4-酮的方法。

  DOI：

  10.1055/s-0029-1218780

文献信息

• Synthesis of a Novel Series of Thieno[3,2-d]pyrimidin-4-(3H)-ones
  作者：Gilbert Kirsch、Ismail Abdillahi

  DOI：10.1055/s-0029-1218697

  日期：2010.5

  2-Aminothieno[3,2-d]pyrimidin-4-ones were synthesized in one step by condensation of 3-amino(benzo)thiophene carboxylate with chloroformamidine hydrochloride.

  2-氨基噻吩并[3,2-d]嘧啶-4-酮通过一步缩合反应合成，方法是将3-氨基（苯并）噻吩羧酸盐与氯甲酰胺盐酸盐进行反应。
• Cyclic N-Hydroxy Imides as Inhibitors of Flap Endonuclease and Uses Thereof
  申请人：Tumey Lawrence N.

  公开号：US20080287465A1

  公开（公告）日：2008-11-20

  Acrylic n-hydroxy imides and their use in pharmaceutical compositions and in the inhibition of flap endonuclease are disclosed.

  本发明揭示了丙烯酸n-羟基亚酰亚胺及其在制药组合物和抑制皱褶内切酶方面的应用。
• 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.
• New thiophene analogues of kenpaullone: synthesis and biological evaluation in breast cancer cells
  作者：Laurent Brault、Evelyne Migianu、Adrien Néguesque、Eric Battaglia、Denyse Bagrel、Gilbert Kirsch

  DOI：10.1016/j.ejmech.2005.02.010

  日期：2005.8

  Thieno analogues of kenpaullone have been synthesized using an established method. We investigated the effect of five structural analogues of kenpaullone on vincristine sensitive and resistant MCF7 (human mammary adenocarcinoma) cells. One analogue, 8-Bromo-6,11-dihydro-thermo-[3',2':2,3]azepino[4,5-b]indol-5(4H)-one (3a), showed an antiproliferative activity in the drug sensitive cell line that led to cell accumulation in G2/M phase. In addition, repression of cdk 1. a G2/M transition key regulator, as well as induction of p21 were observed at the mRNA level. Programmed cell death (apoptosis) was induced in early time treatments and was accompanied by p53 mRNA induction. The antiproliferative and proapoptotic properties of 3a make this CDK inhibitor an interesting candidate for further investigations. (c) 2005 Elsevier SAS. All rights reserved.
• US7947691B2
  申请人：——

  公开号：US7947691B2

  公开（公告）日：2011-05-24