4-chlorophenyl ((1s,4r)-4-(5-(ethyl(2-hydroxyethyl)amino)pentyl)cyclohexyl)(methyl)carbamate | 400897-63-4

• 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: 4-chlorophenyl ((1s,4r)-4-(5-(ethyl(2-hydroxyethyl)amino)pentyl)cyclohexyl)(methyl)carbamate
• CAS: 400897-63-4
• 化学式: C₂₃H₃₇ClN₂O₃
• 分子量: 425.011
• InChiKey: BROPGQGJBYFUDA-XUTJKUGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  29.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  53.01
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-chlorophenyl ((1s,4r)-4-(5-(ethyl(2-hydroxyethyl)amino)pentyl)cyclohexyl)(methyl)carbamate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 生成
  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
• 作为产物：
  描述：

  5-((1r,4s)-4-(((4-chlorophenoxy)carbonyl)(methyl)amino)cyclohexyl)pentyl methanesulfonate 、 N-乙基乙醇胺 以 甲醇 为溶剂， 以56%的产率得到4-chlorophenyl ((1s,4r)-4-(5-(ethyl(2-hydroxyethyl)amino)pentyl)cyclohexyl)(methyl)carbamate
  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

• 2,3-oxidosqualene-lanosterol cyclase inhibitors
  申请人：——

  公开号：US20020045777A1

  公开（公告）日：2002-04-18

  The present invention relates to aminocyclohexanol derivatives 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.

  本发明涉及氨基环己醇衍生物，用于治疗和/或预防与2,3-氧化甾二烯-鲨烯合酶相关的疾病，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/或增生性疾病，以及治疗和/或预防糖耐量受损和糖尿病。
• 2,3-Oxidosqualene-lanosterol cyclase inhibitors
  申请人：Ackermann Jean

  公开号：US20050176766A1

  公开（公告）日：2005-08-11

  The present invention relates to aminocyclohexanol derivatives 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.

  本发明涉及氨基环己醇衍生物，用于治疗和/或预防与2,3-氧化角鲨烯-鲨烯环化酶相关的疾病，如高胆固醇血症、高脂血症、动脉硬化、血管疾病、真菌感染、胆结石、肿瘤和/或过度增殖性疾病，以及治疗和/或预防糖耐量受损和糖尿病。
• NOVEL AMINOCYCLOHEXANE DERIVATIVES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1311475A1

  公开（公告）日：2003-05-21
• AMINOCYCLOHEXANE DERIVATIVES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1311475B1

  公开（公告）日：2008-08-06
• US6858651B2
  申请人：——

  公开号：US6858651B2

  公开（公告）日：2005-02-22