benzoic acid-(1-nitroso-cyclohexyl ester) | 15035-65-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzoic acid-(1-nitroso-cyclohexyl ester)
• 英文别名: Benzoesaeure-(1-nitroso-cyclohexylester)；1-Nitrosocyclohexyl benzoate；(1-nitrosocyclohexyl) benzoate
• CAS: 15035-65-1
• 化学式: C₁₃H₁₅NO₃
• 分子量: 233.267
• InChiKey: KODZJTXCTKZYRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  环己酮肟 、 alkaline earth salt of/the/ methylsulfuric acid 在 二氯甲烷 作用下， 生成 benzoic acid-(1-nitroso-cyclohexyl ester)
  参考文献：
  名称：

  The Acylation of Salts of Secondary Nitroparaffins¹

  摘要：

  DOI：

  10.1021/ja01536a031

文献信息

• C-NITROSO-DERIVED NITROXYL DONORS
  申请人：King S. Bruce

  公开号：US20110263674A1

  公开（公告）日：2011-10-27

  Active compounds of Formula I are described: wherein: R 1 and R 2 are each independently C1-C4 alkyl; or R 1 and R 2 together form a C2-C7 alkylene chain; and Z is a non-steroidal anti-inflammatory drug (NSAID); along with pharmaceutically acceptable salts and prodrug thereof, and methods of using the same.

  描述了公式I的活性化合物：其中：R1和R2分别独立地为C1-C4烷基；或者R1和R2一起形成C2-C7烷基链；Z是非甾体抗炎药物（NSAID）；以及其药学上可接受的盐和前药，以及使用它们的方法。
• Azodioxides Activated by Electron Acceptors in Geminal or Vicinal Position
  作者：Klaus Rehse、Martin Herpel

  DOI：10.1002/(sici)1521-4184(199803)331:3<104::aid-ardp104>3.0.co;2-r

  日期：1998.3

  Twenty-two nitroso compounds with cyano, acyloxy, or carbonyl groups in geminal position were prepared, eight of them for the first time. In the solid state these compounds dimerize to colorless azodioxides. Exceptions are the 4-nitrobenzoyloxynitroso compounds 7b, f, and g which form bright blue crystals. In vitro (Born test, collagen) considerable antiplatelet activity was observed in each class of compounds. Azodioxides with cyano groups in geminal position (3a, b) were most active (IC50 approximate to 10 mu M) suggesting the importance of strong electron withdrawing groups in geminal position to the azodioxide partial structure. When administered orally to rats (60 mg/kg) all compounds inhibited the thrombus formation in mesenteric arterioles and venules. The acetyloxy derivatives 5d and 5e were most active (18-21% inhibition in arterioles and 11-15% inhibition in venules). In aqueous media at 37 degrees C the cyanonitroso compound 3b and the benzoyloxynitroso compound 7a decomposed to nitric oxide and its reduced form nitrosohydrogen. This suggests that the above pharmacological effects are mediated by a NO dependent mechanism.
• Kropf,H.; Lambeck,R., Justus Liebigs Annalen der Chemie, 1966, vol. 700, p. 1 - 17
  作者：Kropf,H.、Lambeck,R.

  DOI：——

  日期：——
• US7696373B2
  申请人：——

  公开号：US7696373B2

  公开（公告）日：2010-04-13
• US7989652B2
  申请人：——

  公开号：US7989652B2

  公开（公告）日：2011-08-02