3-(tetrahydrofuran-3-yloxy)aniline | 929194-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(tetrahydrofuran-3-yloxy)aniline
• 英文别名: 3-(oxolan-3-yloxy)aniline
• CAS: 929194-95-6
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: RCQKGMGWKYHDHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  三光气 、 3-(tetrahydrofuran-3-yloxy)aniline 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到3-(3-Isocyanatophenoxy)tetrahydrofuran
  参考文献：
  名称：

  Identification and structure–activity relationships of 1-aryl-3-piperidin-4-yl-urea derivatives as CXCR3 receptor antagonists

  摘要：

  The synthesis and biological evaluation of a series of 1-aryl-3-piperidin-4-yl-urea derivatives as small-molecule CXCR3 antagonists is described. SAR studies resulted in significant improvement of potency and physicochernical properties and established the key pharmacophore of the series, and led to the identification of 9t, which exhibits an IC50 of 16 nM in the GTP gamma S-35 functional assay. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.088
• 作为产物：
  描述：

  3-(3-Nitrophenoxy)oxolane 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以95%的产率得到3-(tetrahydrofuran-3-yloxy)aniline
  参考文献：
  名称：

  Identification and structure–activity relationships of 1-aryl-3-piperidin-4-yl-urea derivatives as CXCR3 receptor antagonists

  摘要：

  The synthesis and biological evaluation of a series of 1-aryl-3-piperidin-4-yl-urea derivatives as small-molecule CXCR3 antagonists is described. SAR studies resulted in significant improvement of potency and physicochernical properties and established the key pharmacophore of the series, and led to the identification of 9t, which exhibits an IC50 of 16 nM in the GTP gamma S-35 functional assay. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.088

文献信息

• [EN] IMIDAZOLE DERIVATIVES AS IDO INHIBITORS<br/>[FR] DÉRIVÉS IMIDAZOLE COMME INHIBITEURS DE L'IDO
  申请人：NEWLINK GENETICS

  公开号：WO2011056652A1

  公开（公告）日：2011-05-12

  Presently provided are IDO inhibitors of general formulae (VII), (VIII) as shown below and pharmaceutical compositions thereof, useful for modulating an activity of indoleamine 2,3-dioxygenase; treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression; treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine-2,3-dioxygenase; enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent; treating tumor-specific immunosuppression associated with cancer; and treating immunosupression associated with an infectious disease.

  目前提供的是通用结构式（VII）、（VIII）所示的IDO抑制剂及其药物组合物，用于调节色胺酸2,3-二氧化酶的活性；治疗色胺酸2,3-二氧化酶（IDO）介导的免疫抑制；治疗受益于色胺酸-2,3-二氧化酶酶活性抑制的医疗状况；增强包括给予抗癌药物在内的抗癌治疗的有效性；治疗与癌症相关的肿瘤特异性免疫抑制；以及治疗与传染性疾病相关的免疫抑制。
• Imidazole Derivatives as IDO Inhibitors
  申请人：Mautino Mario R.

  公开号：US20120277217A1

  公开（公告）日：2012-11-01

  Presently provided are IDO inhibitors of general formulae (VII), (VIII) as shown below and pharmaceutical compositions thereof, useful for modulating an activity of indoleamine 2,3-dioxygenase; treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression; treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine-2,3-dioxygenase; enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent; treating tumor-specific immunosuppression associated with cancer; and treating immunosupression associated with an infectious disease.

  目前提供的是通式（VII），（VIII）所示的IDO抑制剂及其制药组合物，用于调节吲哚胺2,3-二氧化酶的活性；治疗由吲哚胺2,3-二氧化酶（IDO）介导的免疫抑制；治疗受益于抑制吲哚胺2,3-二氧化酶酶活性的医疗状况；增强包括给予抗癌药物在内的抗癌治疗的有效性；治疗与癌症相关的肿瘤特异性免疫抑制；以及治疗与传染病相关的免疫抑制。
• Imidazole derivatives as IDO inhibitors
  申请人：Mautino Mario R.

  公开号：US08722720B2

  公开（公告）日：2014-05-13

  Presently provided are IDO inhibitors of general formulae (VII), (VIII) as shown below and pharmaceutical compositions thereof, useful for modulating an activity of indoleamine 2,3-dioxygenase; treating indoleamine 2,3-dioxygenase (IDO) mediated immunosuppression; treating a medical conditions that benefit from the inhibition of enzymatic activity of indoleamine-2,3-dioxygenase; enhancing the effectiveness of an anti-cancer treatment comprising administering an anti-cancer agent; treating tumor-specific immunosuppression associated with cancer; and treating immunosupression associated with an infectious disease.

  目前提供的是通式（VII）、（VIII）所示的IDO抑制剂及其药物组成物，可用于调节吲哚胺2,3-二氧化酶的活性；治疗吲哚胺2,3-二氧化酶（IDO）介导的免疫抑制；治疗受益于抑制吲哚胺-2,3-二氧化酶酶活性的医学情况；增强包括给予抗癌剂的抗癌治疗的有效性；治疗与癌症相关的肿瘤特异性免疫抑制；以及治疗与传染性疾病相关的免疫抑制。
• IMIDAZOLE DERIVATIVES AS IDO INHIBITORS
  申请人：Newlink Genetics Corporation

  公开号：EP2493862B1

  公开（公告）日：2016-10-05
• US8722720B2
  申请人：——

  公开号：US8722720B2

  公开（公告）日：2014-05-13