methyl 5-(pyridin-2-yl)thiophene-2-carboxylate | 773873-74-8

• 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-(pyridin-2-yl)thiophene-2-carboxylate
• 英文别名: Methyl 5-(2-pyridyl)thiophene-2-carboxylate；methyl 5-pyridin-2-ylthiophene-2-carboxylate
• CAS: 773873-74-8
• 化学式: C₁₁H₉NO₂S
• 分子量: 219.264
• InChiKey: WFJYHWUNVCDIOW-UHFFFAOYSA-N

物化性质

• 沸点：
  365.3±32.0 °C(Predicted)
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 5-(pyridin-2-yl)thiophene-2-carboxylate 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 生成 methyl 5-(piperidin-2-yl)thiophene-2-carboxylate
  参考文献：
  名称：

  BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS

  摘要：

  抑制聚(ADP-核糖)聚合酶（PARP）活性的化合物，含有这些化合物的组合物以及使用它们治疗疾病的方法被披露。

  公开号：

  US20090030016A1
• 作为产物：
  描述：

  5-溴噻吩-2-甲酸甲酯 、 三正丁基2-吡啶基锌 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三(2-呋喃基)膦 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 methyl 5-(pyridin-2-yl)thiophene-2-carboxylate
  参考文献：
  名称：

  BENZIMIDAZOLE POLY(ADP RIBOSE)POLYMERASE INHIBITORS

  摘要：

  抑制聚(ADP-核糖)聚合酶（PARP）活性的化合物，含有这些化合物的组合物以及使用它们治疗疾病的方法被披露。

  公开号：

  US20090030016A1

文献信息

• Benzimidazole poly(ADP ribose)polymerase inhibitors
  申请人：Abbott Laboratories

  公开号：US08067613B2

  公开（公告）日：2011-11-29

  Compounds which inhibit the activity of poly(ADP-ribose)polymerase (PARP), compositions containing the compounds and methods of treating diseases using them are disclosed.

  本发明公开了一种抑制聚(ADP-核糖)聚合酶(PARP)活性的化合物、含有该化合物的组合物以及使用它们治疗疾病的方法。
• Heterobiaryl Human Immunodeficiency Virus Entry Inhibitors
  作者：Rong-Jian Lu、John A. Tucker、Jason Pickens、You-An Ma、Tatiana Zinevitch、Olga Kirichenko、Vitalii Konoplev、Svetlana Kuznetsova、Sergey Sviridov、Enugurthi Brahmachary、Alisher Khasanov、Charles Mikel、Yang Yang、Changhui Liu、Jian Wang、Stephanie Freel、Shelly Fisher、Alana Sullivan、Jiying Zhou、Sherry Stanfield-Oakley、Brian Baker、Jeff Sailstad、Michael Greenberg、Dani Bolognesi、Brian Bray、Barney Koszalka、Peter Jeffs、Cynthia Jeffries、Alexander Chucholowski、Connie Sexton

  DOI：10.1021/jm900330x

  日期：2009.7.23

  Previously disclosed HIV (human immunodeficiency virus) attachment inhibitors, exemplified by BMS 806 (formally BMS378806, 1), are characterized by a substituted indole or azaindole ring linked to a benzoylpiperazine via a ketoamide or sulfonamide group. In the present report, we describe the discovery of a novel series of potent HIV entry inhibitors in which the indole or azaindole ring of previous inhibitors is replaced by a heterobiaryl group. Several of these analogues exhibited IC(50) values of less than 5 nM in a pseudotyped antiviral assay, and compound 13k was demonstrated to exhibit potency and selectivity similar to those of I against a panel of clinical viral isolates. Moreover, current structure-activity relationship studies of these novel biaryl gp120 inhibitors revealed that around the biaryl, a fine crevice might exist in the gp120 binding site. Taken in sum, these data reveal a hitherto unsuspected flexibility in the structure-activity relationships for these inhibitors and suggest new avenues for exploration and gp120 inhibitor design.
• BENZIMIDAZOLE POLY (ADP RIBOSE) POLYMERASE INHIBITORS
  申请人：Abbott Laboratories

  公开号：EP2183248A2

  公开（公告）日：2010-05-12
• US8067613B2
  申请人：——

  公开号：US8067613B2

  公开（公告）日：2011-11-29
• [EN] BENZIMIDAZOLE POLY(ADP-RIBOSE)POLYMERASE INHIBITORS<br/>[FR] INHIBITEURS DE LA BENZIMIDAZOLE POLY(ADP-RIBOSE) POLYMÉRASE
  申请人：ABBOTT LAB

  公开号：WO2009012280A2

  公开（公告）日：2009-01-22

  Compounds which inhibit the activity of poly(ADP-ribose)polymerase (PARP), compositions containing the compounds and methods of treating diseases using them are disclosed.