(4-(furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone | 926303-92-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4-(furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
• 英文别名: [4-(furan-2-yl)-2-(furan-2-ylmethylamino)-1,3-thiazol-5-yl]-phenylmethanone
• CAS: 926303-92-6
• 化学式: C₁₉H₁₄N₂O₃S
• 分子量: 350.398
• InChiKey: LLLDLOJFFPPLKI-UHFFFAOYSA-N

物化性质

• 沸点：
  569.7±60.0 °C(Predicted)
• 密度：
  1.341±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  96.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (4-(furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone 、 碘甲烷 在 polystyrene-bound N-phenyl-tris(dimethylamino)imino phosphorane 作用下， 以 乙腈 为溶剂， 生成 (4-(furan-2-yl)-2-((furan-2-ylmethyl)(methyl)amino)thiazol-5-yl)(phenyl)methanone
  参考文献：
  名称：

  Synthesis of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A2A receptor antagonists

  摘要：

  The discovery and synthesis of a series of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A(2A) receptor antagonists from a small-molecule combinatorial library using a high-throughput radioligand-binding assay is described. Antagonists were further characterized in the A(2A) binding assay and an A(1) selectivity assay. Selected examples exhibited excellent affinity for A(2A) and good selectivity versus the A(1) receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.066
• 作为产物：
  描述：

  2-异硫氰酸呋喃酯 在 溶剂黄146 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (4-(furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
  参考文献：
  名称：

  Synthesis of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A2A receptor antagonists

  摘要：

  The discovery and synthesis of a series of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A(2A) receptor antagonists from a small-molecule combinatorial library using a high-throughput radioligand-binding assay is described. Antagonists were further characterized in the A(2A) binding assay and an A(1) selectivity assay. Selected examples exhibited excellent affinity for A(2A) and good selectivity versus the A(1) receptor. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.066

文献信息

• Substituted 2-aminothiazoles for treating neurodegenerative diseases
  申请人：Cole Andrew G.

  公开号：US20090005568A1

  公开（公告）日：2009-01-01

  The invention relates to substituted 2-aminothiazole derivatives useful in treating disorders that are mediated by A 2a receptor function, including neurodegenerative diseases including Parkinson's disease and inflammation. The compounds have general formula I:

  该发明涉及到用于治疗由A2a受体功能介导的疾病的取代2-氨基噻唑衍生物，包括神经退行性疾病，如帕金森病和炎症。这些化合物具有一般公式I：
• MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2102176A2

  公开（公告）日：2009-09-23
• [EN] SUBSTITUTED 2-AMINOTHIAZOLES FOR TREATING NEURODEGENERATIVE DISEASES<br/>[FR] 2-AMINOTHIAZOLES SUBSTITUES POUR LE TRAITEMENT DE MALADIES NEURODEGENERATIVES
  申请人：PHARMACOPEIA DRUG DISCOVERY

  公开号：WO2007022415A2

  公开（公告）日：2007-02-22

  [EN] The invention relates to substituted 2-aminothiazole derivatives useful in treating disorders that are mediated by A_2a receptor function, including neurodegenerative diseases including Parkinson's disease and inflammation. The compounds have general formula (I):
  [FR] L'invention concerne des dérivés de 2-aminothiazoles substitués à utiliser pour traiter des troubles dont la médiation est assurée par la fonction du récepteur A_2a, notamment des maladies neurodégénératives de type maladie de Parkinson et inflammation. Les composés de l'invention sont représentés par la formule générale (I).
• [EN] MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS<br/>[FR] INHIBITEURS MACROCYCLIQUES DU FACTEUR VIIA UTILES EN TANT QU'ANTICOAGULANTS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2008079836A2

  公开（公告）日：2008-07-03

  (EN) The present invention relates generally to novel macrocycles of Formula (I) or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein the variables A, B, C, D, L, M, W, Z1, Z2, Z3, Z4, R1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 are as defined herein. These compounds are selective inhibitors of factor VIIa which can be used as medicaments.(FR) La présente invention concerne de nouveaux macrocycles représentés par la formule (I) ou des stéréoisomères, des tautomères, des sels, des solvates ou des précurseurs de médicament pharmaceutiquement acceptables de ces derniers, dans lesquels les variables A, B, C, D, L, M, W, Z1, Z2, Z3, Z4, R1, R2, R3, R4, R5, R6, R7, R8, R9et R10 sont telles que définies dans le descriptif. Ces composés sont des inhibiteurs sélectifs du facteur VIIa qui peuvent être utilisés en tant que médicaments.
• Synthesis of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A2A receptor antagonists
  作者：Andrew G. Cole、Tara M. Stauffer、Laura L. Rokosz、Axel Metzger、Lawrence W. Dillard、Wenguang Zeng、Ian Henderson

  DOI：10.1016/j.bmcl.2008.11.066

  日期：2009.1

  The discovery and synthesis of a series of 2-amino-5-benzoyl-4-(2-furyl)thiazoles as adenosine A(2A) receptor antagonists from a small-molecule combinatorial library using a high-throughput radioligand-binding assay is described. Antagonists were further characterized in the A(2A) binding assay and an A(1) selectivity assay. Selected examples exhibited excellent affinity for A(2A) and good selectivity versus the A(1) receptor. (C) 2008 Elsevier Ltd. All rights reserved.