3,4-dichloro-benzoic acid-(2-amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylamide) | 5452-18-6

• 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: 3,4-dichloro-benzoic acid-(2-amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylamide)
• 英文别名: 3,4-Dichlor-benzoesaeure-(2-amino-4-oxo-3,4,5,6,7,8-hexahydro-chinazolin-6-ylamid)；N-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-6-yl)-3,4-dichlorobenzamide
• CAS: 5452-18-6
• 化学式: C₁₅H₁₄Cl₂N₄O₂
• 分子量: 353.208
• InChiKey: KZPCJLMTGBRBHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  96.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2,6-diamino-5,6,7,8-tetrahydro-3H-quinazolin-4-one; dihydrochloride 、 3,4-二氯苯甲酰氯 在 水 、 碳酸氢钠 作用下， 生成 3,4-dichloro-benzoic acid-(2-amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylamide)
  参考文献：
  名称：

  Potential Anticancer Agents.¹ IX. Tetrahydroquinazoline Analogs of Tetrahydrofolic Acid. I

  摘要：

  DOI：

  10.1021/ja01554a047

文献信息

• Acylated, heteroaryl-condensed cycloalkenylamines and their use as pharmaceuticals
  申请人：AVENTIS PHARMA DEUTSCHLAND GMBH

  公开号：US20040092513A1

  公开（公告）日：2004-05-13

  The present invention relates to acylated, heteroaryl-condensed cycloalkenylamines, to pharmaceutical compositions comprising such compounds, to methods for the stimulation of the expression of endothelial NO synthase, and methods of treatment comprising administering such compounds.

  本发明涉及酰化的杂环缩合环烯基胺，以及包含这些化合物的制药组合物，用于刺激内皮细胞NO合酶表达的方法，以及包含给予这些化合物的治疗方法。
• ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1534277A1

  公开（公告）日：2005-06-01
• US7105513B2
  申请人：——

  公开号：US7105513B2

  公开（公告）日：2006-09-12
• [EN] ACYLATED, HETEROARYL-CONDENSED CYCLOALKENYLAMINES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] CYCLOALCENYLAMINES ACYLEES ET HETEROARYLE-CONDENSEES ET UTILISATION DE CELLES-CI COMME PRODUITS PHARMACEUTIQUES
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2004014372A1

  公开（公告）日：2004-02-19

  The present invention relates to acylated, heteroaryl-condensed cycloalkenylamines of the formula I, (I) in which A, R1, R2, R3, R4, R5 and n have the meanings indicated in the claims. The compounds of formula I are valuable pharmacologically active compounds which are useful in the treatment of various disease states including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency. They upregulate the expression of the enzyme endothelial nitric oxide (NO) synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.
• Potential Anticancer Agents.¹ IX. Tetrahydroquinazoline Analogs of Tetrahydrofolic Acid. I
  作者：Ruth Koehler、Leon Goodman、J. DeGraw、B. R. Baker

  DOI：10.1021/ja01554a047

  日期：1958.11