2-氨基-1-吡啶-4-基-乙酮 | 75140-34-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-氨基-1-吡啶-4-基-乙酮
• 英文名称: 2-amino-1-[4]pyridyl-ethanone
• 英文别名: 2-Amino-1-[4]pyridyl-aethanon；2-Amino-1-pyridin-4-yl-ethanone；2-amino-1-pyridin-4-ylethanone
• CAS: 75140-34-0
• 化学式: C₇H₈N₂O
• mdl: MFCD13187879
• 分子量: 136.153
• InChiKey: SVJIQXGHQJABJI-UHFFFAOYSA-N

物化性质

• 沸点：
  282.7±20.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  56
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氨基-1-吡啶-4-基-乙酮 在 盐酸 、 铂 作用下， 生成 4-(2-氨基乙基)吡啶
  参考文献：
  名称：

  Amines Related to Epinephrine. V. Pyridine Compounds Analogous to Epinephrine, Adrenalene and Ephedrine

  摘要：

  DOI：

  10.1021/ja01225a017
• 作为产物：
  描述：

  2-溴-1-吡啶-4-基乙酮 在 乌洛托品 、 sodium iodide 、 盐酸 作用下， 以 乙醇 为溶剂， 反应 29.0h， 生成 2-氨基-1-吡啶-4-基-乙酮
  参考文献：
  名称：

  Hit-to-lead evaluation of a novel class of sphingosine 1-phosphate lyase inhibitors

  摘要：

  Inhibition of sphingosine-1-phosphate lyase has recently been proposed as a potential treatment option for inflammatory disorders such as multiple sclerosis, rheumatoid arthritis, and inflammatory bowel disease. In this report we describe our hit-to-lead evaluation of the isoxazolecarboxamide 6, a high-throughput screening hit (in vitro IC50 = 1.0 mu M, cell IC50 = 1.8 mu M), as a novel S1P lyase inhibitor. We were able to establish basic structure-activity relationships around 6 and succeeded in obtaining X-ray structural information which enabled structure-based design. With the discovery of 28, enzyme activity was quickly improved to IC50 = 120 nM and cell potency to IC50 = 230 nM. The main liability in the established isoxazolecarboxamide hit series was determined to be metabolic stability. In particular we identified that future lead-optimization efforts to overcome this problem should focus on blocking the N-dealkylation on the secondary amine. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.03.043

文献信息

• [EN] 1-(5-(2-CYANOPYRIDIN-4-YL)OXAZOLE-2-CARBONYL)-4-METHYLHEXAHYDROPYRROLO[3,4-B]PYR ROLE-5(1H)-CARBONITRILE AS USP30 INHIBITOR FOR USE IN THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION, CANCER AND FIBROSIS<br/>[FR] 1-(5-(2-CYANOPYRIDIN-4-YL)OXAZOLE-2-CARBONYL)-4-MÉTHYLHEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBONITRILE UTILISÉ EN TANT QU'INHIBITEUR D'USP30 POUR LE TRAITEMENT D'UN DYSFONCTIONNEMENT MITOCHONDRIAL, D'UN CANCER ET D'UNE FIBROSE
  申请人：MISSION THERAPEUTICS LTD

  公开号：WO2021249909A1

  公开（公告）日：2021-12-16

  The present invention relates to hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carbonitriles with activity as inhibitors of the deubiquitylating enzyme USP30, having utility in a variety of therapeutic areas, including conditions involving mitochondrial dysfunction, cancer and fibrosis:.

  本发明涉及具有抑制去泛素化酶USP30活性的六氢吡咯并[3,4-b]吡咯-5(1H)-碳腈化合物，适用于多种治疗领域，包括涉及线粒体功能障碍、癌症和纤维化的疾病。
• Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medicinal products and processes for preparing them
  申请人：——

  公开号：US20030171364A1

  公开（公告）日：2003-09-11

  The invention relates to novel substituted pyrazolo[4,3-e]-diazepines of general formula (I), to pharmaceutical compositions containing them, to their use as medicinal products and to processes for preparing them.

  这项发明涉及一种新型的取代吡唑并[4,3-e]-二氮杂环庚烷的一般式(I)，以及含有它们的药物组合物，它们作为药物的用途以及制备它们的方法。
• Novel substituted pyrazolo[4,3-e]diazepines, pharmaceutical compositions containing them, use as medical products and processes for preparing them
  申请人：Burnouf Catherine

  公开号：US20050130957A1

  公开（公告）日：2005-06-16

  The invention relates to novel substituted pyrazolo[4,3-e]-diazepines of general formula: to pharmaceutical compositions containing them, to their use as medicinal products and to processes for preparing them.

  本发明涉及一种新的取代的嘧唑并[4,3-e]-二氮杂环己烷通式：以及含有它们的制药组合物，它们作为药物的使用以及制备它们的过程。
• Compositions and methods for inhibiting TGF-beta
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20040157861A1

  公开（公告）日：2004-08-12

  This invention provides compounds that are inhibitors of the TGF-&bgr; signaling pathway. The compounds are represented by formula I: 1 where A′ is N or CH; Ring B is preferably an triazolyl, imidazolyl, or thiazolyl ring; —X-D- is a linker group; and G is an optionally substituted aryl or heteroaryl ring. The compounds are useful for treating cardiovascular disease.

  该发明提供了一些抑制TGF-&bgr;信号通路的化合物。这些化合物由公式I表示：其中A'是N或CH；环B最好是三唑基、咪唑基或噻唑基环；—X-D-是连接基团；G是可选的取代芳基或杂环基。这些化合物可用于治疗心血管疾病。
• Nicotinic Acetylcholine Receptor Ligands
  申请人：Ernst Glen

  公开号：US20070249588A1

  公开（公告）日：2007-10-25

  Acetylcholine receptor ligands of formula (I), wherein D, Ar1, E and Ar2 are as described in the specification, diastereoisomers, enantiomers, pharmaceutically-acceptable salts, methods of making, pharmaceutical compositions containing and methods for using the same.

  公式（I）的乙酰胆碱受体配体，其中D，Ar1，E和Ar2如规范所述，对映异构体，对映体，药学上可接受的盐，制备方法，包含制剂和使用方法的药物组合物。