2-(4-((1H-tetrazol-5-yl)methyl)phenyl)-5,7-dimethoxyquinazolin-4(3H)-one | 1246251-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(4-((1H-tetrazol-5-yl)methyl)phenyl)-5,7-dimethoxyquinazolin-4(3H)-one
• 英文别名: 2-(4-((1H-Tetrazol-5-yl)methyl)phenyl)-5,7-dimethoxyquinazolin-4(3H)-one；5,7-dimethoxy-2-[4-(2H-tetrazol-5-ylmethyl)phenyl]-3H-quinazolin-4-one
• CAS: 1246251-01-3
• 化学式: C₁₈H₁₆N₆O₃
• 分子量: 364.363
• InChiKey: NDJMVCBEBIRHRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  对氰基甲基苯甲酸甲酯 在 lithium aluminium tetrahydride 、 sodium azide 、 N,N-diethylethanamine hydrochloride 、 对甲苯磺酸 、 sodium hydrogensulfite 、 sodium hydroxide 、 2-碘酰基苯甲酸 作用下， 以 四氢呋喃 、 乙醚 、 N,N-二甲基乙酰胺 、 二甲基亚砜 、 甲苯 为溶剂， 反应 33.0h， 生成 2-(4-((1H-tetrazol-5-yl)methyl)phenyl)-5,7-dimethoxyquinazolin-4(3H)-one
  参考文献：
  名称：

  TREATMENT OF DISEASES BY EPIGENETIC REGULATION

  摘要：

  本公开提供了抑制溴结构域和额外末端结构域（BET）蛋白的非天然存在的多酚化合物。所公开的组合物和方法可用于治疗和预防对BET抑制剂易感的疾病或疾病。

  公开号：

  US20130281399A1

文献信息

• TREATMENT OF DISEASES BY EPIGENETIC REGULATION
  申请人：McLure Kevin G.

  公开号：US20130281399A1

  公开（公告）日：2013-10-24

  The present disclosure provides non-naturally occurring polyphenol compounds that inhibit the bromodomain and extra terminal domain (BET) proteins. The disclosed compositions and methods can be used for treatment and prevention of diseases or disorders that are susceptible to administration of a BET inhibitor.

  本公开提供了抑制溴结构域和额外末端结构域（BET）蛋白的非天然存在的多酚化合物。所公开的组合物和方法可用于治疗和预防对BET抑制剂易感的疾病或疾病。
• NOVEL ANTI-INFLAMMATORY AGENTS
  申请人：Hansen Henrik C.

  公开号：US20120040954A1

  公开（公告）日：2012-02-16

  Disclosed are novel compounds that are useful in regulating the expression of interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1), and their use in the treatment and/or prevention of cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s). Also, disclosed are compositions comprising the novel compounds, as well as methods for their preparation.

  本发明涉及一种新型化合物，该化合物可用于调节白细胞介素-6（IL-6）和/或血管细胞黏附分子-1（VCAM-1）的表达，并且可用于治疗和/或预防心血管和炎症性疾病及相关疾病状态，例如动脉粥样硬化、哮喘、关节炎、癌症、多发性硬化症、牛皮癣和炎症性肠病以及自身免疫疾病。此外，本发明还涉及包含该新型化合物的组合物，以及其制备方法。
• ANTI-INFLAMMATORY AGENTS
  申请人：Resverlogix Corp.

  公开号：US20210070716A1

  公开（公告）日：2021-03-11

  Disclosed are novel compounds that are useful in regulating the expression of interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1), and their use in the treatment and/or prevention of cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s). Also, disclosed are compositions comprising the novel compounds, as well as methods for their preparation.
• US9238640B2
  申请人：——

  公开号：US9238640B2

  公开（公告）日：2016-01-19
• [EN] NOVEL ANTI-INFLAMMATORY AGENTS<br/>[FR] NOUVEAUX AGENTS ANTI-INFLAMMATOIRES
  申请人：RESVERLOGIX CORP

  公开号：WO2010106436A2

  公开（公告）日：2010-09-23

  Disclosed are novel compounds that are useful in regulating the expression of interleukin-6 (IL-6) and/or vascular cell adhesion molecule-1 (VCAM-1), and their use in the treatment and/or prevention of cardiovascular and inflammatory diseases and related disease states, such as, for example, atherosclerosis, asthma, arthritis, cancer, multiple sclerosis, psoriasis, and inflammatory bowel diseases, and autoimmune disease(s). Also, disclosed are compositions comprising the novel compounds, as well as methods for their preparation.