乙基 (5-bromopyridin-3-yl)氨基甲酸酯 | 152684-24-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 乙基 (5-bromopyridin-3-yl)氨基甲酸酯
• 中文别名: 乙基(5-bromopyridin-3-yl)氨基甲酸酯
• 英文名称: 3-bromo-5-(ethoxycarbonyl)aminopyridine
• 英文别名: ethyl (5-bromopyridin-3-yl)carbamate；ethyl N-(5-bromo-3-pyridyl)carbamate；(5-bromo-[3]pyridyl)-carbamic acid ethyl ester；(5-Brom-[3]pyridyl)-carbamidsaeure-aethylester；ethyl N-(5-bromopyridine-3-yl)carbamate；ethyl N-(5-bromopyridin-3-yl)carbamate
• CAS: 152684-24-7
• 化学式: C₈H₉BrN₂O₂
• mdl: MFCD00831050
• 分子量: 245.076
• InChiKey: BFWDDTLTJVTQHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙基 (5-bromopyridin-3-yl)氨基甲酸酯 在 氢氧化钾 、 sodium dithionite 、 硫酸 、 硝酸 、 caesium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 73.0h， 生成 methyl (5-(4-(tert-butoxycarbonyl)aminophenoxy)-3,7-diazaindole-2-yl)carbamate
  参考文献：
  名称：

  Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors

  摘要：

  We herein disclose a novel chemical series of benzimidazole-ureas as inhibitors of VEGFR-2 and TIE-2 kinase receptors, both of which are implicated in angiogenesis. Structure-activity relationship (SAR) studies elucidated a critical role for the NI nitrogen of both the benzimidazole (segment E) and urea (segment B) moieties. The SAR results were also supported by the X-ray crystallographic elucidation of the role of the NI nitrogen and the urea moiety when the benzimidazole-urea compounds were bound to the VEGFR-2 enzyme. The left side phenyl ring (segment A) occupies the backpocket where a 3-hydrophobic substituent was favored for TIE-2 activity.

  DOI：

  10.1021/jm0611051
• 作为产物：
  描述：

  5-溴烟酸 在 二苯基磷酸 、 三乙胺 作用下， 以 乙醇 为溶剂， 以19%的产率得到乙基 (5-bromopyridin-3-yl)氨基甲酸酯
  参考文献：
  名称：

  Chemical compounds

  摘要：

  本文描述了作为TIE-2和/或VEGFR2抑制剂有用的苯并咪唑衍生物。所述发明还包括制备这种苯并咪唑衍生物的方法，以及在治疗过度增殖性疾病中使用它们的方法。

  公开号：

  US20040082583A1

文献信息

• Aminoheteroaryl benzamides as kinase inhibitors
  申请人：Bagdanoff Jeffrey T.

  公开号：US09242996B2

  公开（公告）日：2016-01-26

  The present invention provides a compound of Formula (I) or a salt thereof; and therapeutic uses of these compounds. The present invention further provides pharmaceutical compositions comprising these compounds, and compositions comprising these compounds with a therapeutic co-agent.

  本发明提供了化合物的化合物（I）或其盐； 以及这些化合物的治疗用途。本发明还提供了包含这些化合物的药物组合物，以及包含这些化合物与治疗辅助剂的组合物。
• [EN] HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] INHIBITEURS HÉTÉRO-HALOGÉNO D'HISTONE DÉSACÉTYLASE
  申请人：RODIN THERAPEUTICS INC

  公开号：WO2017007756A1

  公开（公告）日：2017-01-12

  This invention provides compounds that are inhibitors of HDAC2. The compounds (e.g., compounds according to Formula I, II or any of Compounds 100-128 or any of those in Tables 2 or 3) accordingly are useful for treating, alleviating, or preventing a condition in a subject such as a neurological disorder, memory or cognitive function disorder or impairment, extinction learning disorder, fungal disease or infection, inflammatory disease, hematological disease, or neoplastic disease, or for improving memory or treating, alleviating, or preventing memory loss or impairment.

  这项发明提供了抑制HDAC2的化合物。这些化合物（例如，符合式I、II或化合物100-128中的任何一种，或表2或3中的任何一种）可用于治疗、缓解或预防受试者的疾病，如神经系统疾病、记忆或认知功能障碍或损伤、消退学习障碍、真菌疾病或感染、炎症性疾病、血液疾病或肿瘤性疾病，或用于改善记忆或治疗、缓解或预防记忆丧失或损伤。
• SELECTIVE HDAC1 AND HDAC2 INHIBITORS
  申请人：Acetylon Pharmaceuticals, Inc.

  公开号：US20140128391A1

  公开（公告）日：2014-05-08

  Provided herein are compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with HDAC activity, particularly diseases or disorders that involve activity of HDAC1 and/or HDAC2. Such diseases include cancer, sickle-cell anemia, beta-thalassemia, and HIV.

  提供的是化合物、包含此类化合物的药物组合物，以及使用此类化合物来治疗或预防与HDAC活性相关疾病或失调的方法，尤其是涉及HDAC1和/or HDAC2活性的疾病。这些疾病包括癌症、镰状细胞性贫血、β-地中海贫血和HIV。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2873669A1

  公开（公告）日：2015-05-20

  The present invention provides a compound having a PDE2A selective inhibitory action, which is useful as an agent for the prophylaxis or treatment of schizophrenia, Alzheimer's disease and the like. The present invention is a compound represented by the formula (1): wherein each symbol is as described in the specification, or a salt thereof.

  本发明提供一种具有PDE2A选择性抑制作用的化合物，可用作预防或治疗精神分裂症、阿尔茨海默病等疾病的药剂。本发明是一种由式（1）表示的化合物：其中每个符号如规范中所述，或其盐。
• Design of a series of bicyclic HIV-1 integrase inhibitors. Part 1: Selection of the scaffold
  作者：Eric D. Jones、Nick Vandegraaff、Giang Le、Neil Choi、William Issa、Katherine Macfarlane、Neeranat Thienthong、Lisa J. Winfield、Jonathan A.V. Coates、Long Lu、Xinming Li、Xiao Feng、Changjiang Yu、David I. Rhodes、John J. Deadman

  DOI：10.1016/j.bmcl.2010.07.079

  日期：2010.10

  HIV integrase inhibitors based on a novel bicyclic pyrimidinone core is presented. Nine variations of the core scaffold are evaluated leading to optimization of the 6:6 core giving compound 48 with an EC50 of 3 nM against wild type HIV infected T-cells.

  提出了一种基于新型双环嘧啶酮核心的HIV整合酶抑制剂。评价了核心支架的九种变异，从而优化了6：6核心，从而得到了针对野生型HIV感染T细胞的EC 50为3 nM的化合物48。