3-[(2-Chloro-5-nitropyrimidin-4-yl)amino]propanamide | 1068607-82-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[(2-Chloro-5-nitropyrimidin-4-yl)amino]propanamide
• 英文别名: 3-[(2-chloro-5-nitropyrimidin-4-yl)amino]propanamide
• CAS: 1068607-82-8
• 化学式: C₇H₈ClN₅O₃
• 分子量: 245.625
• InChiKey: HXFNHGGYPKHIBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(三氟甲基)苯甲胺 、 3-[(2-Chloro-5-nitropyrimidin-4-yl)amino]propanamide 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 3-((5-nitro-2-((3-(trifluoromethyl)benzyl)amino)pyrimidin-4-yl)amino)propanamide
  参考文献：
  名称：

  Novel, potent, selective, and metabolically stable stearoyl-CoA desaturase (SCD) inhibitors

  摘要：

  We identified a series of structurally novel SCD (Delta 9 desaturase) inhibitors via high-throughput screening and follow-up SAR studies. Modi. cation of the central bicyclic scaffold has proven key to our potency optimization effort. The most potent analog (8g) had IC(50) value of 50 pM in a HEPG2 SCD assay and has been shown to be metabolically stable and selective against Delta 5 and Delta 6 desaturases. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.019
• 作为产物：
  描述：

  3-氨基丙酰胺 、 2,4-二氯-5 硝基嘧啶 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 3-[(2-Chloro-5-nitropyrimidin-4-yl)amino]propanamide
  参考文献：
  名称：

  Novel, potent, selective, and metabolically stable stearoyl-CoA desaturase (SCD) inhibitors

  摘要：

  We identified a series of structurally novel SCD (Delta 9 desaturase) inhibitors via high-throughput screening and follow-up SAR studies. Modi. cation of the central bicyclic scaffold has proven key to our potency optimization effort. The most potent analog (8g) had IC(50) value of 50 pM in a HEPG2 SCD assay and has been shown to be metabolically stable and selective against Delta 5 and Delta 6 desaturases. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.019

文献信息

• PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS
  申请人：Chisholm Jeffrey

  公开号：US20080249100A1

  公开（公告）日：2008-10-09

  The present invention discloses pteridinone derivatives for use as inhibitors of stearoyl-CoA desaturase having the structure of Formula I: The compounds are useful in treating and/or preventing various human diseases, mediated by stearoyl-CoA desaturase (SCD) enzymes, especially diseases related to abnormal lipid levels, cardiovascular disease, diabetes, obesity, metabolic syndrome and the like.

  本发明揭示了用作硬脂酰辅酶A脱饱和酶抑制剂的吡啶酮衍生物，其具有以下结构的化学式：这些化合物在治疗和/或预防各种由硬脂酰辅酶A脱饱和酶（SCD）酶介导的人类疾病中具有用途，特别是与异常脂质水平、心血管疾病、糖尿病、肥胖、代谢综合征等相关的疾病。
• US7662819B2
  申请人：——

  公开号：US7662819B2

  公开（公告）日：2010-02-16
• [EN] PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS<br/>[FR] DÉRIVÉS DE PTÉRIDINONE DESTINÉS À ÊTRE UTILISÉS COMME DES INHIBITEURS DE STÉAROYL-COA DÉSATURASE
  申请人：CV THERAPEUTICS INC

  公开号：WO2008123891A1

  公开（公告）日：2008-10-16

  [EN] The present invention discloses pteridinone derivatives for use as inhibitors of stearoyl-CoA desaturase having the structure of Formula (I) The compounds are useful in treating and/or preventing various human diseases, mediated by stearoyl-CoA desaturase (SCD) enzymes, especially diseases related to abnormal lipid levels, cardiovascular disease, diabetes, obesity, metabolic syndrome and the like.
  [FR] La présente invention concerne des dérivés de ptéridinone destinés à être utilisés comme des inhibiteurs de stéaroyl-CoA désaturase ayant la structure de formule (I). Les composés sont utiles dans le traitement et/ou la prévention de diverses maladies humaines, médiées par des enzymes stéaroyl-CoA désaturases (SCD), en particulier les maladies liées à des taux de lipides anormaux, les maladies cardiovasculaires, les diabètes, l'obésité, le syndrome métabolique et les maladies similaires.
• Novel, potent, selective, and metabolically stable stearoyl-CoA desaturase (SCD) inhibitors
  作者：Dmitry O. Koltun、Eric Q. Parkhill、Natalya I. Vasilevich、Andrei I. Glushkov、Timur M. Zilbershtein、Alexei V. Ivanov、Andrew G. Cole、Ian Henderson、Nathan A. Zautke、Sandra A. Brunn、Nevena Mollova、Kwan Leung、Jeffrey W. Chisholm、Jeff Zablocki

  DOI：10.1016/j.bmcl.2009.02.019

  日期：2009.4

  We identified a series of structurally novel SCD (Delta 9 desaturase) inhibitors via high-throughput screening and follow-up SAR studies. Modi. cation of the central bicyclic scaffold has proven key to our potency optimization effort. The most potent analog (8g) had IC(50) value of 50 pM in a HEPG2 SCD assay and has been shown to be metabolically stable and selective against Delta 5 and Delta 6 desaturases. (C) 2009 Elsevier Ltd. All rights reserved.