2-溴嘧啶-4-羧酸甲酯 | 1209459-78-8

• 物质功能分类: 医药中间体 - 杂环化合物 - 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: 2-溴嘧啶-4-羧酸甲酯
• 英文名称: methyl 2-bromopyrimidine-4-carboxylate
• 英文别名: Methyl 2-bromopyrimidine-4-carboxylate
• CAS: 1209459-78-8
• 化学式: C₆H₅BrN₂O₂
• 分子量: 217.022
• InChiKey: OAKFMNMNMOCFFO-UHFFFAOYSA-N

物化性质

• 沸点：
  327.4±34.0 °C(Predicted)
• 密度：
  1.669±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  存储条件为2-8°C，并需保存在惰性气体中。

反应信息

• 作为反应物：
  描述：

  2-溴嘧啶-4-羧酸甲酯 在 1,1'-双(二苯基膦)二茂铁 、 tris-(dibenzylideneacetone)dipalladium(0) 、 sodium hydride 、 一水合肼 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 反应 99.5h， 生成
  参考文献：
  名称：

  Organometallic compound and organic light-emitting device including the same

  摘要：

  公开号：

  EP2706064B1

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR TRAITER DES ÉTATS PATHOLOGIQUES ASSOCIÉS À UNE ACTIVITÉ DE STING
  申请人：IFM DUE INC

  公开号：WO2022015977A1

  公开（公告）日：2022-01-20

  This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/or cocrystal, and/or drug combination of the compound) that inhibit (e.g., antagonize) Stimulator of Interferon Genes (STING). Said chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) STING activation (e.g., STING signaling) contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also features compositions containing the same as well as methods of using and making the same.

  本公开涉及化学实体（例如，化合物或药物可接受的盐，水合物，共晶体或化合物的药物组合），其抑制（例如，对抗）干扰素基因刺激剂（STING）。这些化学实体是有用的，例如，用于治疗在该主题（例如，人类）中增加（例如，过度）STING激活（例如，STING信号传导）对病理学和/或症状和/或病情进展有贡献的状况，疾病或障碍（例如，癌症）。本公开还涉及包含相同的组合物以及使用和制造相同的方法。
• Benzimidazole derivatives useful as CB-1 inverse agonists
  申请人：Janssen Pharmaceutica NV

  公开号：US10118900B2

  公开（公告）日：2018-11-06

  The present invention is directed to benzimidazole derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions mediated by the CB-1 receptor; more particularly, use in the treatment of disorders and conditions responsive to inverse agonism of the CB-1 receptor. More particularly, the compounds of the present invention are useful in the treatment of metabolic disorders.

  本发明涉及苯并咪唑衍生物、含有苯并咪唑衍生物的药物组合物及其在治疗由 CB-1 受体介导的紊乱和病症中的用途；更具体地说，是在治疗对 CB-1 受体的反向激动有反应的紊乱和病症中的用途。更具体地说，本发明的化合物可用于治疗代谢紊乱。
• 10.1021/acs.orglett.4c02553
  作者：He, Xu、Zhang, Yu-Yang、Shou, Jia-Yi、Chu, Lingling、Qing, Feng-Ling

  DOI：10.1021/acs.orglett.4c02553

  日期：——

  Herein we report a photoredox/nickel-catalyzed cross-coupling of aryl bromides with 1,1,1,3,3,3-hexafluoroisopropanol for the construction of hexafluoroisopropyl aryl ethers. The mild reaction conditions employed allow for the applicability of a wide range of aryl and heteroaryl bromides. Late-stage functionalization and preliminary mechanistic studies have been demonstrated.

  在此，我们报道了芳基溴与1,1,1,3,3,3-六氟异丙醇的光氧化还原/镍催化交叉偶联，用于构建六氟异丙基芳基醚。所采用的温和反应条件允许广泛的芳基和杂芳基溴化物的适用性。后期功能化和初步机制研究已经得到证实。
• ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：CHOI Jong-Won

  公开号：US20140070180A1

  公开（公告）日：2014-03-13

  An organometallic compound may be represented by Formula 1:
• BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS
  申请人：Janssen Pharmaceutica NV

  公开号：US20170057929A1

  公开（公告）日：2017-03-02

  The present invention is directed to benzimidazole derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions mediated by the CB-1 receptor; more particularly, use in the treatment of disorders and conditions responsive to inverse agonism of the CB-1 receptor. More particularly, the compounds of the present invention are useful in the treatment of metabolic disorders.