6-(allylmethylamino)hexan-1-ol hydrobromide

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 6-(allylmethylamino)hexan-1-ol hydrobromide
• 英文别名: 6-(allyl-methyl-amino)-hexan-1-ol.hydrobromide；6-[methyl(prop-2-enyl)amino]hexan-1-ol;hydrobromide
• 化学式: BrH*C₁₀H₂₁NO
• 分子量: 252.195
• InChiKey: CHLZSIYWFZJQFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  23.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-甲基烯丙基胺 、 6-溴正己醇 在 crude product 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 32.0h， 以There are obtained 1.9 g of 6-(allyl-methyl-amino)-hexan-1-ol.hydrobromide as the crude product, MS的产率得到6-(allylmethylamino)hexan-1-ol hydrobromide
  参考文献：
  名称：

  Tertiary amines

  摘要：

  式中A1，A2，A3，A4，M，p，T和Q如本文所定义的三级胺及其酸盐具有抗真菌和降低胆固醇的活性。

  公开号：

  US06441177B1

文献信息

• Tertiary amines
  申请人：Hoffmann-La Roche Inc.

  公开号：US06034275A1

  公开（公告）日：2000-03-07

  Tertiary amines of the formula ##STR1## wherein A.sup.1, A.sup.2, A.sup.3, A.sup.4, L, M, p, T, and Q are as defined herein, have antimycotic and cholesterol-lowering activity.

  式为##STR1##的三级胺，在此处定义的A.sup.1、A.sup.2、A.sup.3、A.sup.4、L、M、p、T和Q的条件下，具有抗真菌和降低胆固醇活性。
• US6034275A
  申请人：——

  公开号：US6034275A

  公开（公告）日：2000-03-07
• US6441177B1
  申请人：——

  公开号：US6441177B1

  公开（公告）日：2002-08-27
• Synthesis and Structure−Activity Studies of Novel Orally Active Non-Terpenoic 2,3-Oxidosqualene Cyclase Inhibitors
  作者：Henrietta Dehmlow、Johannes D. Aebi、Synèse Jolidon、Yu-Hua Ji、Elisabeth M. von der Mark、Jacques Himber、Olivier H. Morand

  DOI：10.1021/jm021120f

  日期：2003.7.1

  New orally active non-terpenoic inhibitors of human 2,3-oxidosqualene cyclase (hOSC) are reported. The starting point for the optimization process was a set of compounds derived from a fungicide project, which in addition to showing high affinity for OSC from Candida albicans showed also high affinity for human OSC. Common structural elements of these inhibitors are an amine residue and an electrophilic carbonyl C atom embedded in a benzophenone system, which are at a distance of about 10.7 Angstrom. Considering that the keto moiety is in a potentially labile position, modifications of the substitution pattern at the benzophenone as well as annelated heteroaryl systems were explored. Our approach combined testing of the compounds first for increased binding affinity and for increased stability in vitro. Most promising compounds were then evaluated for their efficacy in lowering plasma total cholesterol (TC) and plasma low-density lipoprotein cholesterol (LDL-C) in hyperlipidemic hamsters. In this respect, the most promising compounds are the benzophenone derivative 1.fumarate and the benzo[d]-isothiazol 24.fumarate, which lowered TC by 40% and 33%, respectively.