allyl-[4-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yloxy]-butyl]-methyl-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: allyl-[4-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yloxy]-butyl]-methyl-amine
• 英文别名: N-allyl-4-(3-(4-bromophenyl)benzo[d]isothiazol-6-yloxy)-N-methylbutan-1-amine；4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-methyl-N-prop-2-enylbutan-1-amine
• 化学式: C₂₁H₂₃BrN₂OS
• 分子量: 431.396
• InChiKey: PDHRIPJKNGUCJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  53.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-(4-Bromo-butoxy)-3-(4-bromo-phenyl)-benzo[d]isothiazole 、 N-甲基烯丙基胺 以 N,N-二甲基乙酰胺 为溶剂， 以100%的产率得到allyl-[4-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yloxy]-butyl]-methyl-amine
  参考文献：
  名称：

  Oxidosqualene cyclase from Saccharomyces cerevisiae, Trypanosoma cruzi, Pneumocystis carinii and Arabidopsis thaliana expressed in yeast: A model for the development of novel antiparasitic agents

  摘要：

  A series of 25 compounds, some of which previously were described as inhibitors of human liver microsomal oxidosqualene cyclase (OSC), were tested as inhibitors of Saccharomyces cerevisiae, Trypanosoma cruzi, Pneumocystis carinii and Arabidopsis thaliana OSCs expressed in an OSC-defective strain of S. cerevisiae. The screening identified three derivatives particularly promising for the development of novel anti-Trypanosoma agents and eight derivatives for the development of novel anti-Pneumocystis agents. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.040

文献信息

• Heteroaromate OSC inhibitors
  申请人：——

  公开号：US20020086891A1

  公开（公告）日：2002-07-04

  The present invention relates to heteroaromate OSC inhibitors. The compounds are useful for the treatment and/or prophylaxis of diseases which are associated with 2,3-oxidosqualene-lanosterol cyclase such as hypercholesterolemia, hyperlipemia, arteriosclerosis, vascular diseases, mycoses, gallstones, tumors and/or hyperproliferative disorders, and treatment and/or prophylaxis of impaired glucose tolerance and diabetes.

  本发明涉及杂环芳基OSC抑制剂。这些化合物对与2,3-氧化甾醇-麦角固醇环化酶相关的疾病的治疗和/或预防具有用处，如高胆固醇血症、高脂血症、动脉硬化、血管疾病、真菌病、胆结石、肿瘤和/或过度增生性疾病的治疗和/或预防，以及对糖耐量受损和糖尿病的治疗和/或预防。
• CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1334094A1

  公开（公告）日：2003-08-13
• US6951879B2
  申请人：——

  公开号：US6951879B2

  公开（公告）日：2005-10-04
• US7173043B2
  申请人：——

  公开号：US7173043B2

  公开（公告）日：2007-02-06
• US7449483B2
  申请人：——

  公开号：US7449483B2

  公开（公告）日：2008-11-11