tert-butyl (2-oxo-2-(pyridin-4-yl)ethyl)carbamate | 857334-89-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl (2-oxo-2-(pyridin-4-yl)ethyl)carbamate
• 英文别名: Tert-butyl [2-oxo-2-(pyridin-4-yl)ethyl]carbamate；tert-butyl N-(2-oxo-2-pyridin-4-ylethyl)carbamate
• CAS: 857334-89-5
• 化学式: C₁₂H₁₆N₂O₃
• 分子量: 236.271
• InChiKey: YIUGRGNVKORTOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (2-oxo-2-(pyridin-4-yl)ethyl)carbamate 在 甲醇 、 乙酰氯 作用下， 反应 4.0h， 生成 4-Aminoacetyl-pyridine hydrochloride
  参考文献：
  名称：

  [EN] COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS
  [FR] COMPOSÉS POUR LE TRAITEMENT DES INFECTIONS PAR LE VIRUS RESPIRATOIRE SYNCYTIAL

  摘要：

  本发明涉及式(I)的化合物，其盐、异构体或前药，在治疗病毒感染，特别是呼吸道合胞病毒（RSV）感染方面有用。本发明还涉及制备这些化合物和用于制备它们的中间体的方法。

  公开号：

  WO2011094823A1
• 作为产物：
  描述：

  2-溴-1-吡啶-4-基乙酮 在 乌洛托品 、 碳酸氢钠 、 sodium iodide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 41.0h， 生成 tert-butyl (2-oxo-2-(pyridin-4-yl)ethyl)carbamate
  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] SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS<br/>[FR] HYDANTOINAMIDES SUBSTITUÉS EN TANT QU'ANTAGONISTES D'ADAMTS7
  申请人：BAYER AG

  公开号：WO2021094434A1

  公开（公告）日：2021-05-20

  The application relates to substituted hydantoinamides of formula (I) as ADAMTS7 antagonists, to processes for their preparation, their use alone or in combination for the treatment or prophylaxis of diseases, in particular of cardiovascular diseases, including atherosclerosis, coronary artery disease (CAD), peripheral vascular disease (PAD), arterial occlusive disease or restenosis after angioplasty. R1 is hydrogen, alkyl, cycloalkyl, heterocycloalkyl, 5- to 6-membered heteroaryl or phenyl; R2 is hydrogen or alkyl; A is 5-membered heteroaryl; Z is 6- to 10-membered aryl or 5- to 10-membered heteroaryl; all groups being optionally substituted.

  该申请涉及公式（I）的替代咪唑酰脲作为ADAMTS7拮抗剂，以及它们的制备方法，它们单独或与其他药物联合用于治疗或预防疾病，特别是心血管疾病，包括动脉粥样硬化、冠状动脉疾病（CAD）、外周血管疾病（PAD）、动脉闭塞病或血管成形术后再狭窄。R1为氢、烷基、环烷基、杂环烷基、5-至6-成员杂芳基或苯基；R2为氢或烷基；A为5-成员杂芳基；Z为6-至10-成员芳基或5-至10-成员杂芳基；所有基团均可选择性地被取代。
• [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。
• [EN] NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS<br/>[FR] LIGANDS DU RECEPTEUR A L'ACETYLCHOLINE NICOTINIQUE
  申请人：ASTRAZENECA AB

  公开号：WO2005061510A1

  公开（公告）日：2005-07-07

  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.

  乙酰胆碱受体配体的化学式（I），其中D、Ar1、E和Ar2如规范中所述，对映异构体，对映体，药用盐，制备方法，含有该化合物的药物组合物以及使用该化合物的方法。
• 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。
• COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS
  申请人：MITCHELL Jeffrey Peter

  公开号：US20110207728A1

  公开（公告）日：2011-08-25

  The present invention relates to compounds of formula (I) its salts, isomers or prodrugs thereof useful in the treatment of viral infections, in particular respiratory syncytial virus (RSV) infections. The present invention also relates to processes for preparing the compounds and intermediates used in their preparation.

  本发明涉及公式(I)化合物及其盐、异构体或前药，在治疗病毒感染，特别是呼吸道合胞病毒(RSV)感染方面有用。本发明还涉及制备这些化合物和用于制备它们的中间体的方法。