(S)-N1-(3,5-Dimethyl-pyridin-2-ylmethyl)-N1-(1-pyridin-2-yl-ethyl)-butane-1,4-diamine | 780801-64-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (S)-N1-(3,5-Dimethyl-pyridin-2-ylmethyl)-N1-(1-pyridin-2-yl-ethyl)-butane-1,4-diamine
• 英文别名: (S)-N1-(3,5-dimethylpyridin-2-ylmethyl)-N1-(1-pyridin-2-yl-ethyl)-butane-1,4-diamine；N'-[(3,5-dimethylpyridin-2-yl)methyl]-N'-[(1S)-1-pyridin-2-ylethyl]butane-1,4-diamine
• CAS: 780801-64-1
• 化学式: C₁₉H₂₈N₄
• 分子量: 312.458
• InChiKey: ZOSBGNJWLUKHGF-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-羟基烟酸 、 (S)-N1-(3,5-Dimethyl-pyridin-2-ylmethyl)-N1-(1-pyridin-2-yl-ethyl)-butane-1,4-diamine 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以29%的产率得到(S)-N-{4-[(3,5-dimethyl-pyridin-2-ylmethyl)-(1-pyridin-2-yl-ethyl)-amino]-butyl}-6-hydroxy-nicotinamide
  参考文献：
  名称：

  CXCR4 chemokine receptor binding comounds

  摘要：

  本发明涉及与趋化因子受体结合的化合物，其具有式1的结构，其中A、X、Y、R1、R2和R3均为取代基。本发明还涉及使用这类化合物的方法，例如在治疗HIV感染和炎症性疾病如类风湿性关节炎中的应用。此外，本发明还涉及使用这类化合物来提高祖细胞和干细胞计数的方法，以及提高白细胞计数的方法。

  公开号：

  US20040209921A1
• 作为产物：
  描述：

  (S)-N-(3,5-dimethylpyridin-2-ylmethyl)-N-(1-pyridin-2-yl-ethyl)-butane-1,4-diamine hydrochloride 在 sodium hydroxide 作用下， 以 水 为溶剂， 以88%的产率得到(S)-N1-(3,5-Dimethyl-pyridin-2-ylmethyl)-N1-(1-pyridin-2-yl-ethyl)-butane-1,4-diamine
  参考文献：
  名称：

  CXCR4 chemokine receptor binding comounds

  摘要：

  本发明涉及与趋化因子受体结合的化合物，其具有式1的结构，其中A、X、Y、R1、R2和R3均为取代基。本发明还涉及使用这类化合物的方法，例如在治疗HIV感染和炎症性疾病如类风湿性关节炎中的应用。此外，本发明还涉及使用这类化合物来提高祖细胞和干细胞计数的方法，以及提高白细胞计数的方法。

  公开号：

  US20040209921A1

文献信息

• CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS
  申请人：BRIDGER Gary J.

  公开号：US20080255197A1

  公开（公告）日：2008-10-16

  The present invention relates to compounds that bind to chemokine receptors, and having the formula wherein each A, X, Y, R 1 , R 2 and R 3 are substituents. The present invention also relates to methods of using such compounds, such as in treating HIV infection and inflammatory conditions such as rheumatoid arthritis. Furthermore, the present invention relates to methods to elevate progenitor and stem cell counts, as well as methods to elevate white blood cell counts, using such compounds.

  本发明涉及与趋化因子受体结合的化合物，其具有以下式子： 其中每个A、X、Y、R1、R2和R3均为取代基。本发明还涉及使用这种化合物的方法，例如用于治疗HIV感染和炎症性疾病，如类风湿性关节炎。此外，本发明还涉及使用这种化合物提高祖细胞和干细胞数量的方法，以及提高白细胞计数的方法。
• CXCR4 chemokine receptor binding compounds
  申请人：Genzyme Corporation

  公开号：US07291631B2

  公开（公告）日：2007-11-06

  The present invention relates to compounds that bind to chemokine receptors, and having the formula wherein each A, X, Y, R1, R2 and R3 are substituents. The present invention also relates to methods of using such compounds, such as in treating HIV infection and inflammatory conditions such as rheumatoid arthritis. Furthermore, the present invention relates to methods to elevate progenitor and stem cell counts, as well as methods to elevate white blood cell counts, using such compounds.

  本发明涉及结合趋化因子受体的化合物，其具有以下式子： 其中每个A、X、Y、R1、R2和R3均为取代基。本发明还涉及使用这种化合物的方法，例如用于治疗HIV感染和炎症性疾病，如类风湿性关节炎。此外，本发明还涉及使用这种化合物提高祖细胞和干细胞计数的方法，以及提高白细胞计数的方法。
• IDENTIFICATION OF GENETIC MARKERS OF BIOLOGICAL AGE AND METABOLISM
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：EP1200629A2

  公开（公告）日：2002-05-02
• Identification of genetic markers of biological age and metabolism
  申请人：Weindruch Richard H.

  公开号：US20080254464A1

  公开（公告）日：2008-10-16

  A method of measuring the biological age of a multicellular organism is disclosed. In one embodiment this method comprises the steps of obtaining a sample of nucleic acid isolated from the organism's organ, tissue or cell and determining the expression pattern of a panel of sequences within the nucleic acid that have been predetermined by either increase or decrease in response to biological aging of the organ, tissue or cell. A method of obtaining biomarkers of aging is also disclosed. This method comprises the step of comparing a gene expression profile of a young multicellular organism subject's organ, tissue or cells; a gene expression profile from a chronologically aged subject's organ, tissue or cell; and a gene expression profile from a chronologically aged but biologically younger subject's organ, tissue or cell and identifying gene expression alterations that are observed when comparing the young subjects and the chronologically aged subjects and are not observed or reduced in magnitude when comparing the young subjects and the chronologically aged but biologically younger subjects.
• US6569624B1
  申请人：——

  公开号：US6569624B1

  公开（公告）日：2003-05-27