瑞卡帕布杂质 | 1577983-73-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 瑞卡帕布杂质
• 英文名称: 6H-Pyrrolo(4,3,2-ef)(2)benzazepin-6-one, 2-(4-(aminomethyl)phenyl)-8-fluoro-1,3,4,5-tetrahydro-
• 英文别名: 2-[4-(aminomethyl)phenyl]-6-fluoro-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
• CAS: 1577983-73-3
• 化学式: C₁₈H₁₆FN₃O
• 分子量: 309.343
• InChiKey: WJBQAAFBYRWCMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  70.9
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  碘甲基三甲基硅烷 、 瑞卡帕布杂质 在 sodium carbonate 作用下， 生成
  参考文献：
  名称：

  WO2023/167475

  摘要：

  公开号：
• 作为产物：
  描述：

  2-溴-8-氟-4,5-二氢-1H-氮杂䓬并[5,4,3-cd]吲哚-6(3H)-酮 在 盐酸 、 四(三苯基膦)钯 、 盐酸羟胺 、 sodium acetate 、 sodium carbonate 、 锌 作用下， 以 1,4-二氧六环 、 甲醇 、 乙醇 、 水 为溶剂， 反应 16.0h， 生成 瑞卡帕布杂质
  参考文献：
  名称：

  Poly(ADP-ribose) Polymerase in Neurodegeneration: Radiosynthesis and Radioligand Binding in ARC-SWE tg Mice

  摘要：

  We report the synthesis, radiosynthesis, and characterization of a radioligand for poly(ADP-ribose) polymerase (PARP). PARP is of central importance in cell homeostasis, neuroplasticity, and neurodegeneration in the brain. A radiolabeled PARP inhibitor was developed and used for autoradiographic quantification of PARP protein concentration in wild-type and transgenic rodent brains ex vivo in high resolution. The binding of [H-3]rucaparib was found to be confined to PARP-expressing domains, for example, cerebellar cortex or hippocampal regions in both models. Saturation binding experiments confirmed selective and reversible binding to a single site (K-d = 1.1 +/- 0.2 nM).

  DOI：

  10.1021/acschemneuro.8b00053

文献信息

• COMBINATION OF ANTIBODY-DRUG CONJUGATE WITH PARP INHIBITOR
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3909580A1

  公开（公告）日：2021-11-17

  A pharmaceutical composition, wherein an antibody-drug conjugate in which a drug-linker represented by the following formula (wherein A represents a connecting position to an antibody) is conjugated to the antibody via a thioether bond, and a PARP inhibitor are administered in combination, and/or a method of treatment, wherein the antibody-drug conjugate and a PARP inhibitor are administrated in combination to a subject.

  一种药物组合物，其中通过硫醚键将下式（其中 A 代表与抗体的连接位置）所代表的药物连接物与抗体结合的抗体-药物共轭物和 PARP 抑制剂联合给药，和/或一种治疗方法，其中抗体-药物共轭物和 PARP 抑制剂联合给药给受试者。
• PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER
  申请人：ArQule, Inc.

  公开号：US20200155521A1

  公开（公告）日：2020-05-21

  The present application is drawn to methods of treating a cell proliferative disorder, such as a cancer, comprising administering to a subject in need thereof a therapeutically effective amount of a composition comprising at least one of Compound 1, Compound 2, and Compound 3, or a pharmaceutically acceptable salt, solvate, hydrate, or prodrug thereof, and at least one second therapeutic agent or a pharmaceutically acceptable salt, solvate, hydrate, or prodrug thereof, wherein the cell proliferative disorder is treated.
• TARGET PROTEIN DEGRADATION COMPOUNDS, THEIR ANTI-TUMOR USE, THEIR INTERMEDIATES AND USE OF INTERMEDIATES
  申请人：ShanghaiTech University

  公开号：US20220117982A1

  公开（公告）日：2022-04-21

  The present disclosure relates to compounds of formula (I) and their anti-tumor uses, and their intermediates of formula (III), intermediates of formula (IV), and uses of the intermediates. The compound of formula (I) has a degrading effect on a specific target protein, which is mainly composed of three parts. The first part is a small molecule compound (SMBP, Small Molecules Binding Protein) that can bind to a protein, the second part LIN is a linker, and the three-part ULM is a ubiquitin ligand (ULM, Ubiquitin Ligase Binding Moiety), wherein SMBP is covalently bound to LIN, and LIN is covalently bound to ULM. A series of compounds designed and synthesized in the present disclosure have a wide range of pharmacological activities, including the functions of degrading specific proteins and/or inhibiting activities of specific proteins, and thus can be used in related tumor treatments.
• [EN] COMBINATION OF ANTIBODY-DRUG CONJUGATE WITH PARP INHIBITOR<br/>[FR] COMBINAISON D'UN CONJUGUÉ ANTICORPS-MÉDICAMENT ET D'UN INHIBITEUR DE PARP<br/>[JA] 抗体－薬物コンジュゲートとＰＡＲＰ阻害剤の組み合わせ
  申请人：DAIICHI SANKYO CO LTD

  公开号：WO2020122034A1

  公开（公告）日：2020-06-18

  下式（式中、Ａは抗体との結合位置を示す）で示される薬物リンカーと抗体とがチオエーテル結合によって結合した抗体－薬物コンジュゲートと、ＰＡＲＰ阻害剤が、組み合わされて投与されることを特徴とする医薬組成物、及び／又は、該抗体－薬物コンジュゲートとＰＡＲＰ阻害剤が組み合わされて個体に投与されることを特徴とする治療方法。