(S)-5-((((5-氯-2-甲基吡啶-3-基)氨基)甲基)-N-(3-环戊基-1-(环丙基氨基)-1-氧丙烷-2-基)噻吩-2-羧酰胺 | 1404456-53-6

• 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
• 中文名称: (S)-5-((((5-氯-2-甲基吡啶-3-基)氨基)甲基)-N-(3-环戊基-1-(环丙基氨基)-1-氧丙烷-2-基)噻吩-2-羧酰胺
• 中文别名: (S)-5-(((5-氯-2-甲基吡啶-3-基)氨基)甲基)-N-(3-环戊基-1-(环丙基氨基)-1-氧代丙烷-2-基)噻吩-2-甲酰胺；5-[[(5-氯-2-甲基-3-吡啶基)氨基]甲基]-N-[(1S)-1-(环戊基甲基)-2-(环丙基氨基)-2-氧代乙基]-2-噻吩甲酰胺；GSK 283371
• 英文名称: GSK2830371
• 英文别名: Gsk2830371；5-[[(5-chloro-2-methylpyridin-3-yl)amino]methyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
• CAS: 1404456-53-6
• 化学式: C₂₃H₂₉ClN₄O₂S
• 分子量: 461.028
• InChiKey: IVDUVEGCMXCMSO-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,5-二氯-3-硝基吡啶 在 N-甲基吗啉 、 tin(II) chloride dihdyrate 、 sodium hydride 、 sodium cyanoborohydride 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 甲醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 35.83h， 生成 (S)-5-((((5-氯-2-甲基吡啶-3-基)氨基)甲基)-N-(3-环戊基-1-(环丙基氨基)-1-氧丙烷-2-基)噻吩-2-羧酰胺
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS AS WIP1 INHIBITORS
  [FR] NOUVEAUX COMPOSÉS EN TANT QU'INHIBITEURS DE WIP1

  摘要：

  本发明涉及酰化丙氨酸衍生物用于调节WIP1活性，特别是抑制其活性。适当地，本发明涉及酰化丙氨酸衍生物在癌症治疗中的应用。

  公开号：

  WO2012149102A1

文献信息

• USE OF DIANHYDROGALACTITOL OR ANALOGS AND DERIVATIVES IN COMBINATION WITH A P53 MODULATOR OR A PARP INHIBITOR
  申请人：Del Mar Pharmaceuticals (BC) Ltd.

  公开号：US20200061054A1

  公开（公告）日：2020-02-27

  Methods and compositions employing dianhydrogalactitol or a derivative analog of dianhydrogalactitol together with a p53 modulator, a PARP inhibitor, or topoisomerase inhibitor for treatment of malignancies are provided.
• COMPOSITIONS AND METHODS FOR TREATING CHEMOTHERAPY RESISTANT CANCER
  申请人：THE BRIGHAM AND WOMEN'S HOSPITAL, INC.

  公开号：US20210137902A1

  公开（公告）日：2021-05-13

  The present invention features methods for increasing sensitivity and/or reversing resistance to chemotherapy, methods for treating or preventing a cancer in a subject, methods for treating clonal hematopoiesis of indeterminate potential in a subject, and methods of identifying resistance or sensitivity to chemotherapy in a subject. In some embodiments, the methods contain the step of administering an agent that inhibits the expression or activity of a Protein phosphatase 1D (PPM1D) polypeptide or polynucleotide. The present invention also features compositions for increasing sensitivity and/or reversing resistance to chemotherapy.
• COMPOSITIONS AND METHODS FOR IDENTIFICATION ASSESSMENT, PREVENTION, AND TREATMENT OF EWING SARCOMA USING TP53 DEPENDENCY BIOMARKERS AND MODULATORS
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20210324478A1

  公开（公告）日：2021-10-21

  The present invention is based, in part, on the identification of TP53 dependency biomarkers, including MDM2, MDM4, USP7, and Wip1/PPM1D, as well as modulators and methods of use thereof, for identifying, assessing, preventing, and treating Ewing sarcoma.
• PH-ACTIVATED NANOPARTICLES
  申请人：Ohio State Innovation Foundation

  公开号：US20220117917A1

  公开（公告）日：2022-04-21

  Disclosed herein is a pH activated nanoparticle that can be used to deliver labile therapeutic or diagnostic agents to the cytoplasm of cells. These nanoparticles allow the agents to escape the endosome by releasing a gas in an amount effective to disrupt the endosome and release the agents into the cytoplasm. The disclosed nanoparticles have a shell, such as a phospholipid bilayer shell, and a core containing a gas bound to a substrate by a pH sensitive interaction. Also disclosed herein is are methods for delivering a pH sensitive cargo to the cytoplasm of a cell, treating triple negative breast cancer (TNBC) in a subject, and treating HER2+ breast cancer in a subject.