(4-bromo-1H-indol-3-yl)naphthalen-2-ylmethanone | 885225-75-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (4-bromo-1H-indol-3-yl)naphthalen-2-ylmethanone
• 英文别名: (4-bromo-1H-indol-3-yl)-naphthalen-2-yl-methanone；(4-bromo-1H-indol-3-yl)-naphthalen-2-ylmethanone
• CAS: 885225-75-2
• 化学式: C₁₉H₁₂BrNO
• 分子量: 350.214
• InChiKey: QETYSCJUSIWZPL-UHFFFAOYSA-N

物化性质

• 沸点：
  554.9±30.0 °C(Predicted)
• 密度：
  1.520±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.9
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (4-bromo-1H-indol-3-yl)naphthalen-2-ylmethanone 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 生成 4-bromo-3-naphthalen-2-ylmethyl-1H-indole
  参考文献：
  名称：

  Structure−Activity Relationship Studies Leading to the Identification of (2E)-3-[l-[(2,4-Dichlorophenyl)methyl]-5-fluoro-3-methyl-lH-indol-7-yl]-N-[(4,5-dichloro-2-thienyl)sulfonyl]-2-propenamide (DG-041), a Potent and Selective Prostanoid EP3 Receptor Antagonist, as a Novel Antiplatelet Agent That Does Not Prolong Bleeding

  摘要：

  The EP(3) receptor on the platelet mediates prostaglandin E(2) potentiation of thrombogenic coagonists including collagen and adenosine diphosphate (ADP). A pharmacophore driven approach led to the identification of diverse peri-substituted heterocycles as potent and selective EP(3) receptor antagonists. A simultaneous chemical optimization and druglike assessment of prioritized molecules converged oil a lead compound 50 (DG-041) that displayed favorable in vitro and functional activities as an inhibitor of human platelet aggregation. This agent is currently in human clinical trials for the treatment of atherothrombosis.

  DOI：

  10.1021/jm9005912
• 作为产物：
  描述：

  在 盐酸 作用下， 以 水 为溶剂， 生成 (4-bromo-1H-indol-3-yl)naphthalen-2-ylmethanone
  参考文献：
  名称：

  WO2006/44405

  摘要：

  公开号：

文献信息

• Aryl sulfonamide peri-substituted bicyclics for occlusive artery disease
  申请人：Singh Jasbir

  公开号：US20060142348A1

  公开（公告）日：2006-06-29

  Aryl sulfonamide, peri-substituted, fused bicyclic ring compounds useful for the treatment or prophylaxis of a prostaglandin-mediated disease or condition are disclosed. The compounds are of the general formula A representative example is:

  本发明揭示了用于治疗或预防前列腺素介导的疾病或病状的芳基磺酰胺，周围取代，融合双环环化合物。该化合物的一般式如下：其中，代表性的例子为：
• ARYL SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE
  申请人：Singh Jasbir

  公开号：US20090075985A1

  公开（公告）日：2009-03-19

  Aryl sulfonamide, peri-substituted, fused bicyclic ring compounds useful for the treatment or prophylaxis of a prostaglandin-mediated disease or condition are disclosed. The compounds are of the general formula A representative example is:

  本发明公开了一种对假性脂质体介导的疾病或病症有治疗或预防作用的芳基磺酰胺、邻位取代、融合双环环化合物。该化合物的一般式如下：其中，代表性例子为：
• [EN] ARYL SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE<br/>[FR] COMPOSÉS BICYCLIQUES DE TYPE ARYLSULFONAMIDE PÉRI-SUBSTITUÉS POUR LE TRAITEMENT DE L'ARTÉRIOPATHIE OBLITÉRANTE
  申请人：DECODE CHEMISTRY INC

  公开号：WO2006044405A1

  公开（公告）日：2006-04-27

  [EN] Aryl sulfonamide, peri-substituted, fused bicyclic ring compounds useful for the treatment or prophylaxis of a prostaglandin-mediated disease or condition are disclosed. The compounds are of the general formula (I). A representative example is formula (II).
  [FR] La présente invention a pour objet des composés bicycliques à cycles adjacents de type arylsulfonamide péri-substitués, qui peuvent être employés dans le traitement thérapeutique ou prophylactique d'une maladie ou d'une affection liée aux prostaglandines. Les composés répondent à la formule générale (I). Un exemple représentatif est donné ci-après : (II).
• Structure−Activity Relationship Studies Leading to the Identification of (2<i>E</i>)-3-[l-[(2,4-Dichlorophenyl)methyl]-5-fluoro-3-methyl-l<i>H</i>-indol-7-yl]-<i>N</i>-[(4,5-dichloro-2-thienyl)sulfonyl]-2-propenamide (DG-041), a Potent and Selective Prostanoid EP3 Receptor Antagonist, as a Novel Antiplatelet Agent That Does Not Prolong Bleeding
  作者：Jasbir Singh、Wayne Zeller、Nian Zhou、Georgeta Hategan、Rama K. Mishra、Alex Polozov、Peng Yu、Emmanuel Onua、Jun Zhang、José L. Ramírez、Gudmundur Sigthorsson、Margret Thorsteinnsdottir、Alex. S. Kiselyov、David E. Zembower、Thorkell Andrésson、Mark E. Gurney

  DOI：10.1021/jm9005912

  日期：2010.1.14

  The EP(3) receptor on the platelet mediates prostaglandin E(2) potentiation of thrombogenic coagonists including collagen and adenosine diphosphate (ADP). A pharmacophore driven approach led to the identification of diverse peri-substituted heterocycles as potent and selective EP(3) receptor antagonists. A simultaneous chemical optimization and druglike assessment of prioritized molecules converged oil a lead compound 50 (DG-041) that displayed favorable in vitro and functional activities as an inhibitor of human platelet aggregation. This agent is currently in human clinical trials for the treatment of atherothrombosis.
• WO2006/44405
  申请人：——

  公开号：——

  公开（公告）日：——