1-[2-(4-morpholinyl)-1,3-thiazol-4-yl]ethanone | 265107-01-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-[2-(4-morpholinyl)-1,3-thiazol-4-yl]ethanone
• 英文别名: 1-(2-Morpholin-4-yl-1,3-thiazol-4-yl)ethanone
• CAS: 265107-01-5
• 化学式: C₉H₁₂N₂O₂S
• 分子量: 212.272
• InChiKey: KTFREDMQYCAFOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  70.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[2-(4-morpholinyl)-1,3-thiazol-4-yl]ethanone 在 乙酸铵 、 ammonium sulfate 作用下， 以 1,2-二氯乙烷 、 邻二氯苯 为溶剂， 生成 5-(3-Bromo-phenyl)-7-(2-morpholin-4-yl-thiazol-4-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
  参考文献：
  名称：

  5-(3-Bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine: structure–activity relationships of 7-substituted heteroaryl analogs as non-nucleoside adenosine kinase inhibitors

  摘要：

  4-Amino-5,7-disubstituted pyridopyrimidines are potent, non-nucleoside inhibitors of adenosine kinase (AK). We recently identified a potent, orally efficacious analog, 4 containing a 7-pyridylmorpholine substituted ring system as the key structural element of this template. In this report, we disclose the pharmacologic effects of five- and six-membered heterocyclic ring replacements for the pyridine ring in 4. These replacements were found to have interesting effects on in vivo efficacy and genotoxicity as well as in vitro potency. We discovered that the nitrogen in the heterocyclic ring at C(7) is important for the modulation of mutagenic side effects (Ames assay). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.023
• 作为产物：
  描述：

  1-(2-morpholinothiazol-4-yl)ethanone oxime 在 硫酸 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以19%的产率得到1-[2-(4-morpholinyl)-1,3-thiazol-4-yl]ethanone
  参考文献：
  名称：

  5-(3-Bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine: structure–activity relationships of 7-substituted heteroaryl analogs as non-nucleoside adenosine kinase inhibitors

  摘要：

  4-Amino-5,7-disubstituted pyridopyrimidines are potent, non-nucleoside inhibitors of adenosine kinase (AK). We recently identified a potent, orally efficacious analog, 4 containing a 7-pyridylmorpholine substituted ring system as the key structural element of this template. In this report, we disclose the pharmacologic effects of five- and six-membered heterocyclic ring replacements for the pyridine ring in 4. These replacements were found to have interesting effects on in vivo efficacy and genotoxicity as well as in vitro potency. We discovered that the nitrogen in the heterocyclic ring at C(7) is important for the modulation of mutagenic side effects (Ames assay). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.023

文献信息

• [EN] MALT1 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE MALT1 ET LEURS UTILISATIONS
  申请人：UNIV CORNELL

  公开号：WO2017040304A1

  公开（公告）日：2017-03-09

  Provided herein are compounds of Formula (I) and pharmaceutical compositions thereof, which may be useful as MALT1 inhibitors. Also provided are for the treatment of proliferative disorders (e.g., cancer (e.g., non-Hodgkin' s lymphoma, diffuse large B-cell lymphoma, MALT lymphoma), benign neoplasm, a disease associated with angiogenesis,an autoimmune disease, an inflammatory disease, an autoinflammatory disease) by administering a compound of Formula (I).

  本文提供了化合物的化学式(I)及其药物组合物，可用作MALT1抑制剂。还提供了通过给予化合物的化学式(I)来治疗增生性疾病（例如癌症（例如非霍奇金淋巴瘤、弥漫性大B细胞淋巴瘤、MALT淋巴瘤）、良性肿瘤、与血管生成有关的疾病、自身免疫疾病、炎症性疾病、自身炎症性疾病）的方法。
• EP3341007B1
  申请人：——

  公开号：EP3341007B1

  公开（公告）日：2020-12-23
• 5-(3-Bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine: structure–activity relationships of 7-substituted heteroaryl analogs as non-nucleoside adenosine kinase inhibitors
  作者：Mark A. Matulenko、Chih-Hung Lee、Meiqun Jiang、Robin R. Frey、Marlon D. Cowart、Erol K. Bayburt、Stanley DiDomenico、Gregory A. Gfesser、Arthur Gomtsyan、Guo Zhu Zheng、Jeffery A. McKie、Andrew O. Stewart、Haixia Yu、Kathy L. Kohlhaas、Karen M. Alexander、Steve McGaraughty、Carol T. Wismer、Joseph Mikusa、Kennan C. Marsh、Ronald D. Snyder、Marilyn S. Diehl、Elizabeth A. Kowaluk、Michael F. Jarvis、Shripad S. Bhagwat

  DOI：10.1016/j.bmc.2005.03.023

  日期：2005.6

  4-Amino-5,7-disubstituted pyridopyrimidines are potent, non-nucleoside inhibitors of adenosine kinase (AK). We recently identified a potent, orally efficacious analog, 4 containing a 7-pyridylmorpholine substituted ring system as the key structural element of this template. In this report, we disclose the pharmacologic effects of five- and six-membered heterocyclic ring replacements for the pyridine ring in 4. These replacements were found to have interesting effects on in vivo efficacy and genotoxicity as well as in vitro potency. We discovered that the nitrogen in the heterocyclic ring at C(7) is important for the modulation of mutagenic side effects (Ames assay). (c) 2005 Elsevier Ltd. All rights reserved.