7-氯-5H-噻唑并[3,2-A]嘧啶-5-酮 | 66155-69-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 7-氯-5H-噻唑并[3,2-A]嘧啶-5-酮
• 英文名称: 7-chloro-5H-tiazolo<3,2-a>pirimidin-5-one
• 英文别名: 7-Chloro-5H-thiazolo[3,2-A]pyrimidin-5-one；7-chloro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• CAS: 66155-69-9
• 化学式: C₆H₃ClN₂OS
• 分子量: 186.622
• InChiKey: DTDIFMCSMLMWTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-氯-5H-噻唑并[3,2-A]嘧啶-5-酮 在 N-溴代丁二酰亚胺(NBS) 、 sodium sulfite 作用下， 以 乙腈 、 水 为溶剂， 以84 %的产率得到6-bromo-7-chloro-thiazolo[3,2-a]pyrimidin-5-one
  参考文献：
  名称：

  [EN] PROTACS FOR TARGETED DEGRADATION OF KAT2A AND KAT2B FOR THE TREATMENT OF CANCER
  [FR] PROTAC POUR LA DÉGRADATION CIBLÉE DE KAT2A ET DE KAT2B POUR LE TRAITEMENT DU CANCER

  摘要：

  The present invention relates to bifunctional compounds (PROTACs) of formula (I) that target the degradation of KAT2A and KAT2B, their manufacture, pharmaceutical compositions comprising the compounds and the compounds for use as medicaments. The compounds of the invention are useful in the treatment of diseases and medical conditions associated with KAT2A and KAT2B, including, for example, cancer, autoimmune conditions, and inflammatory conditions.

  公开号：

  WO2024003533A1
• 作为产物：
  描述：

  ethyl 3-oxo-3-(thiazol-2-ylamino)propanoate 在 三氯氧磷 作用下， 以 氯苯 为溶剂， 反应 5.0h， 以40.7%的产率得到7-氯-5H-噻唑并[3,2-A]嘧啶-5-酮
  参考文献：
  名称：

  Di Braccio; Roma; Mazzei, Farmaco, Edizione Scientifica, 1986, vol. 41, # 3, p. 183 - 195

  摘要：

  DOI：

文献信息

• [EN] MPRO TARGETING ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX CIBLANT LES MPRO
  申请人：EXSCIENTIA AI LTD

  公开号：WO2023180189A1

  公开（公告）日：2023-09-28

  Disclosed are novel viral Mpro inhibitors according to Formula (I), their pharmaceutically acceptable salts, and pharmaceutical compositions thereof. Also disclosed are methods of using such compounds and compositions to inhibit Mpro and/or to treat various viral infections; particularly related to coronavirus. The compounds and compositions of the disclosure may be particularly useful in treating a broad spectrum of coronavirus.

  公开了根据式（I）的新型病毒 Mpro 抑制剂、它们的药学上可接受的盐及其药物组合物。还公开了使用此类化合物和组合物抑制 Mpro 和/或治疗各种病毒感染的方法；特别是与冠状病毒有关的病毒感染。本公开的化合物和组合物在治疗广谱冠状病毒方面可能特别有用。
• Synthesis, antiplatelet activity and comparative molecular field analysis of substituted 2-amino-4 H -pyrido[1,2- a ]pyrimidin-4-ones, their congeners and isosteric analogues
  作者：Giorgio Roma、Nunzia Cinone、Mario Di Braccio、Giancarlo Grossi、Giuliana Leoncini、Maria Grazia Signorello、Angelo Carotti

  DOI：10.1016/s0968-0896(00)00010-9

  日期：2000.4

  2-(1-Piperazinyl)-4H-pyrido[1,2-a]pyrimidin-4-one (5a) is a recently described in vitro inhibitor of human platelet aggregation which specifically inhibits the activity of high affinity cAMP phosphodiesterase. A number of substitution derivatives, isosteres, and analogues of 5a were now synthesized and tested in vitro for their inhibitory activity on human platelet aggregation induced in platelet-rich plasma by ADP, collagen, or the Ca2+ ionophore A23187. Among the most effective compounds, the 6-methyl, 8-methyl and 6,8-dimethyl derivatives of 5a resulted nearly as active as the lead when platelet aggregation was induced by ADP or A23187, but less active when collagen was the inducer. On the basis of present results and those previously obtained by us in this and 2-aminochromone structural fields, we have developed a statistically significant 3-D QSAR model, using comparative molecular field analysis (CoMFA), describing the variation of the antiplatelet activity in terms of molecular steric and electrostatic potential changes. (C) 2000 Elsevier Science Ltd. All rights reserved.
• DI, BRACCIO, M.;ROMA, G.;MAZZEI, M.;BALBI, A.;TESTA, R., FARMACO. ED. SCI., 1986, 41, N 3, 183-195
  作者：DI, BRACCIO, M.、ROMA, G.、MAZZEI, M.、BALBI, A.、TESTA, R.

  DOI：——

  日期：——