5-[1-[1-(3-Aminopropyl)piperidin-4-yl]pyrazol-3-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

• 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: 5-[1-[1-(3-Aminopropyl)piperidin-4-yl]pyrazol-3-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
• 英文别名: 5-[1-[1-(3-aminopropyl)piperidin-4-yl]pyrazol-3-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
• 化学式: C₂₄H₂₉Cl₂FN₆O
• 分子量: 507.4
• InChiKey: YRJNTEVJOPFAKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  95.2
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• AMINOHETEROARYL COMPOUNDS AS MTH1 INHIBITORS
  申请人：CeMM - Forschungszentrum für Molekulare Medizin GmbH

  公开号：US20160015702A1

  公开（公告）日：2016-01-21

  The present invention relates to an (S)-enantiomer of an aminoheteroaryl compound for use in treating and/or preventing cancer in a subject. The invention further relates to a pharmaceutical composition comprising said compound. Another aspect of the invention is directed to an in vitro method for determining the effectiveness of said (S)-enantiomer of an aminoheteroaryl compound, or said pharmaceutical composition, the method comprising the steps of: (a) obtaining a cell or tissue sample from a subject; and (b) determining the subject's NUDT1/MTH1-status; wherein a NUDT1/MTH1-positive cell or tissue sample is indicative of an effective treatment and/or prevention of cancer. In addition, provided herein is a screening method for identifying a target of an (S)-enantiomer of an aminoheteroaryl compound. Furthermore, in context of this invention, the herein described compounds inhibit the biological activity of MTH1.

  本发明涉及一种氨基杂环化合物的(S)-对映体，用于治疗和/或预防受体内癌症。本发明还涉及一种含有该化合物的药物组合物。本发明的另一个方面涉及一种体外方法，用于确定该氨基杂环化合物的(S)-对映体或该药物组合物的有效性，该方法包括以下步骤：(a)从受体中获取细胞或组织样本；(b)确定受体的NUDT1/MTH1状态；其中，NUDT1/MTH1阳性的细胞或组织样本表明癌症治疗和/或预防有效。此外，本文还提供了一种筛选方法，用于识别(S)-氨基杂环化合物的靶标。此外，在本发明的背景下，所述化合物抑制MTH1的生物活性。
• US9446039B2
  申请人：——

  公开号：US9446039B2

  公开（公告）日：2016-09-20
• [EN] AMINOHETEROARYL COMPOUNDS AS MTH1 INHIBITORS<br/>[FR] COMPOSÉS AMINOHÉTÉROARYLES EN TANT QU'INHIBITEURS DE MTH1
  申请人：CEMM RES CT FOR MOLECULAR MEDICINE OF THE AUSTRIAN ACADEMY OF SCIENCES

  公开号：WO2014033136A1

  公开（公告）日：2014-03-06

  he present invention relates to an (S)-enantiomer of an aminoheteroaryl compound for use in treating and/or preventing cancer in a subject. The invention further relates to a pharmaceutical composition comprising said compound. Another aspect of the invention is directed to an in vitro method for determining the effectiveness of said (S)-enantiomer of an aminoheteroaryl compound, or said pharmaceutical composition, the method comprising the steps of: (a) obtaining a cell or tissue sample from a subject; and (b) determining the subject's NUDT1/MTH1 -status; wherein a NUDT1/MTH1-positive cell or tissue sample is indicative of an effective treatment and/or prevention of cancer. In addition, provided herein is a screening method for identifying a target of an (S)-enantiomer of an aminoheteroaryl compound. Furthermore, in context of this invention, the herein described compounds inhibit the biological activity of MTH1.