1-ethyl-4-(pent-4-ynyl)piperazine | 911397-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-ethyl-4-(pent-4-ynyl)piperazine
• 英文别名: 1-Ethyl-4-(pent-4-ynyl)piperazine；1-ethyl-4-pent-4-ynylpiperazine
• CAS: 911397-83-6
• 化学式: C₁₁H₂₀N₂
• 分子量: 180.293
• InChiKey: XPEKRCWANCNGTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-ethyl-4-(pent-4-ynyl)piperazine 、 N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-5-iodo-6-methylpyrimidin-4-amine 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-5-(5-(4-ethylpiperazin-1-yl)pent-1-ynyl)-6-methylpyrimidin-4-amine
  参考文献：
  名称：

  Synthesis and evaluation of novel pyrimidine-based dual EGFR/Her-2 inhibitors

  摘要：

  A structure-activity relationship study of 4-anilinopyrimidines for dual EGFR/Her-2 inhibitor has resulted in the identification of 4-anilino-5-alkenyl or 5-alkynyl-6-methylpyrimidine derivatives that have exhibited effective inhibitory activity against both enzymes. The presence of 5-alkenyl or 5-alkynyl moiety bearing terminal hydrophilic group played important role for inhibition of these enzymes. Selected compounds in the series demonstrated some activity against Her-2 dependent cell line ( BT474). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.119
• 作为产物：
  描述：

  N-乙基哌嗪 、 pent-4-yn-1-yl methanesulfonate 反应 3.0h， 生成 1-ethyl-4-(pent-4-ynyl)piperazine
  参考文献：
  名称：

  ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS

  摘要：

  炔基吡咯并[2,3-d]嘧啶及相关类似物被描述并证明具有作为热休克蛋白90（HSP90）抑制剂的效用，用于治疗和预防各种HSP90介导的疾病。还描述和声明了这类化合物的合成和使用方法。

  公开号：

  US20060223797A1

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2014081643A1

  公开（公告）日：2014-05-30

  Compounds of formula (I) and salts thereof wherein R1 is n-C3-6alkyl; R2 is hydrogen or methyl; R3 is hydrogen or C1-6alkyl, and m is an integer having a value of 1 to 4; are inducers of human interferon. Compounds which induce human interferon may be useful in the treatment of various disorders, for example the treatment of allergic diseases and other inflammatory conditions, for example allergic rhinitis and asthma, infectious diseases and cancer, and may also be useful as vaccine adjuvants.

  公式(I)的化合物及其盐，其中R1是n-C3-6烷基；R2是氢或甲基；R3是氢或C1-6烷基，m是一个值为1至4的整数；是人类干扰素的诱导剂。诱导人类干扰素的化合物可能在治疗各种疾病方面有用，例如治疗过敏性疾病和其他炎症性疾病，例如过敏性鼻炎和哮喘，传染病和癌症，并且还可能作为疫苗佐剂有用。
• ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS
  申请人：Kasibhatla Srinivas Rao

  公开号：US20090318387A1

  公开（公告）日：2009-12-24

  Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs are described and demonstrated to have utility as Heat Shock Protein 90 (HSP90) inhibiting agents used in the treatment and prevention of various HSP90 mediated disorders. Methods of synthesis and use of such compounds are also described and claimed.

  本文描述了炔基吡咯并[2,3-d]嘧啶及其相关类似物，证明其作为热休克蛋白90（HSP90）抑制剂在治疗和预防各种HSP90介导的疾病中具有用途。同时还描述和声明了这些化合物的合成和使用方法。
• Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors
  申请人：Conforma Therapeutics Corporation

  公开号：US07544672B2

  公开（公告）日：2009-06-09

  Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs are described and demonstrated to have utility as Heat Shock Protein 90 (HSP90) inhibiting agents used in the treatment and prevention of various HSP90 mediated disorders. Methods of synthesis and use of such compounds are also described and claimed.

  本文描述了炔基吡咯并[2,3-d]嘧啶及其相关类似物，证明其作为抑制热休克蛋白90（HSP90）的药物在治疗和预防各种HSP90介导的疾病中具有实用性。还描述和声明了这种化合物的合成和使用方法。
• NOVEL COMPOUNDS
  申请人：GLAXOSMITHKLINE LLC

  公开号：US20150299204A1

  公开（公告）日：2015-10-22

  The present invention relates to compounds of formula (I) and salts thereof: wherein R 1 is n-C 3-6 alkyl; R 2 is hydrogen or methyl; R 3 is hydrogen or C 1-6 alkyl, and m is an integer having a value of 1 to 4; are inducers of human interferon. Compounds which induce human interferon may be useful in the treatment of various disorders, for example the treatment of allergic diseases and other inflammatory conditions, for example allergic rhinitis and asthma, infectious diseases and cancer, and may also be useful as vaccine adjuvants.

  本发明涉及公式(I)的化合物及其盐：其中，R1是n-C3-6烷基；R2是氢或甲基；R3是氢或C1-6烷基，m是一个整数，其值为1到4；这些化合物是人干扰素的诱导剂。诱导人干扰素的化合物可能在治疗各种疾病方面有用，例如治疗过敏性疾病和其他炎症性疾病，例如过敏性鼻炎和哮喘，传染病和癌症，也可能作为疫苗佐剂有用。
• Compounds
  申请人：GlaxoSmithKline LLC

  公开号：US09428512B2

  公开（公告）日：2016-08-30

  The present invention relates to compounds of formula (I) and salts thereof: wherein R1 is n-C3-6alkyl; R2 is hydrogen or methyl; R3 is hydrogen or C1-6alkyl, and m is an integer having a value of 1 to 4; are inducers of human interferon. Compounds which induce human interferon may be useful in the treatment of various disorders, for example the treatment of allergic diseases and other inflammatory conditions, for example allergic rhinitis and asthma, infectious diseases and cancer, and may also be useful as vaccine adjuvants.

  本发明涉及公式（I）的化合物及其盐：其中R1是n-C3-6烷基；R2是氢或甲基；R3是氢或C1-6烷基，m是一个整数，其值为1至4；这些化合物是人干扰素的诱导剂。诱导人干扰素的化合物可能在治疗各种疾病方面有用，例如治疗过敏性疾病和其他炎症性疾病，例如过敏性鼻炎和哮喘，感染性疾病和癌症，并且还可能作为疫苗佐剂有用。