4-溴嘧啶氢溴酸盐 | 1187931-22-1

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 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: 4-溴嘧啶氢溴酸盐
• 英文名称: 4-bromopyrimidine hydrobromide
• 英文别名: 4-bromopyrimidine;hydrobromide
• CAS: 1187931-22-1
• 化学式: BrH*C₄H₃BrN₂
• 分子量: 239.897
• InChiKey: UFFBOGDIZFQAIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.82
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-[5-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-8-methyl-isoquinolin-3-yl]-3-ethyl-urea 、 4-溴嘧啶氢溴酸盐 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 2.0h， 以40%的产率得到1-ethyl-3-(8-methyl-5-pyrimidin-4-yl-isoquinolin-3-yl)-urea
  参考文献：
  名称：

  Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents

  摘要：

  Our strategy to combat resistant bacteria consisted of targeting the GyrB/ParE ATP-binding sites located on bacterial DNA gyrase and topoisomerase IV and not utilized by marketed antibiotics. Screening around the minimal ethyl urea binding motif led to the identification of isoquinoline ethyl urea 13 as a promising starting point for fragment evolution. The optimization was guided by structure-based design and focused on antibacterial activity in vitro and in vivo, culminating in the discovery of unprecedented substituents able to interact with conserved residues within the ATP-binding site. A detailed characterization of the lead compound highlighted the potential for treatment of the problematic fluoroquinolone-resistant MRSA, VRE, and S. pneumoniae, and the possibility to offer patients an intravenous-to-oral switch therapy was supported by the identification of a suitable prodrug concept. Eventually, hERG K-channel block was identified as the main limitation of this chemical series, and efforts toward its minimization are reported.

  DOI：

  10.1021/acs.jmedchem.6b01834

文献信息

• [EN] REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS<br/>[FR] AGONISTES REV-ERB POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES À MÉDIATION PAR TH17
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2021263278A1

  公开（公告）日：2021-12-30

  The present disclosure provides compounds of Formula IA and Formula IB and their pharmaceutical compositions as selective agonists of REV-ERB-α: where R1, R2, R3, R4, R5, RX1, RX2, nA, nB, X, Y, and Z are described herein. The compounds are useful in various methods and uses, such as in the treatment of diseases including hyperglycemia, dyslipidemia, atherosclerosis, and autoimmune and inflammatory disorders or diseases, and as cancer therapeutics, such as for the treatment of glioblastoma, hepatocellular carcinoma, and colorectal cancer, and for immune-oncology purposes.

  本公开提供了Formula IA和Formula IB的化合物及其作为REV-ERB-α选择性激动剂的药物组合物：其中R1、R2、R3、R4、R5、RX1、RX2、nA、nB、X、Y和Z如本文所述。这些化合物在各种方法和用途中非常有用，例如用于治疗包括高血糖、血脂异常、动脉粥样硬化、自身免疫和炎症性疾病等疾病，以及作为癌症治疗药物，如用于治疗胶质母细胞瘤、肝细胞癌和结直肠癌，以及用于免疫肿瘤学目的。
• [EN] 3-HETEROARYL SUBSTITUTED INDAZOLES<br/>[FR] INDAZOLES 3-HÉTÉROARYLE SUBSTITUÉES
  申请人：BAYER PHARMA AG

  公开号：WO2014147203A1

  公开（公告）日：2014-09-25

  Compounds of formula (I) which are inhibitors of Bub1 kinase, processes for their production and their use as pharmaceuticals.

  式(I)的化合物是Bub1激酶的抑制剂，其制备过程以及它们作为药物的用途。
• 3-HETEROARYL SUBSTITUTED INDAZOLES
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160046610A1

  公开（公告）日：2016-02-18

  Compounds of formula (I) which are inhibitors of Bub1 kinase, processes for their production and their use as pharmaceuticals.

  化学式为(I)的化合物是Bub1激酶的抑制剂，其制备过程及其作为药物的用途。
• WO2024068948A1
  申请人：——

  公开号：——

  公开（公告）日：——
• 2-PHENYLMORPHOLINE AND 2-PHENYL(THIO)MORPHOLINE COMPOUNDS AND USES THEREOF
  申请人：[en]SUMITOMO PHARMA AMERICA, INC.

  公开号：WO2024118488A1

  公开（公告）日：2024-06-06

  Provided herein is a compound of Structural Formula I: or a pharmaceutically acceptable salt thereof, wherein values for the variables (e.g., X, Y, R1, R2, R3, R4, m, n, o) are as disclosed herein. Also provided herein are pharmaceutical compositions comprising a compound of Structural Formula I, or a pharmaceutically acceptable salt thereof, and methods of using the compounds, pharmaceutically acceptable salts thereof and pharmaceutical compositions of the foregoing,e.g., to treat a neurological or psychiatric disease or disorder, or a metabolic disease, disorder or condition.