(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.
• [EN] NOVEL COMPOUNDS AS WIP1 INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS EN TANT QU'INHIBITEURS DE WIP1
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2012149102A1

  公开（公告）日：2012-11-01

  This invention relates to the use of acylated alanine derivatives for the modulation, notably the inhibition of the activity of WIP1. Suitably, the present invention relates to the use of acylated alanine derivatives in the treatment of cancer.

  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。