propane-1-sulfonic acid [2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-phenyl]-amide | 918504-34-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: propane-1-sulfonic acid [2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-phenyl]-amide
• 英文别名: Vemurafenib Impurity 3；N-[2,4-difluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]propane-1-sulfonamide
• CAS: 918504-34-4
• 化学式: C₁₇H₁₅F₂N₃O₃S
• 分子量: 379.387
• InChiKey: MRGMNFKDRVODJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Plexxikon Inc.

  公开号：US20160176865A1

  公开（公告）日：2016-06-23

  Compounds active on protein kinases are described, as well as methods of using such compounds to treat diseases and conditions associated with aberrant activity of protein kinases.

  本文描述了在蛋白激酶上活性化合物，以及使用这些化合物治疗与蛋白激酶异常活动相关的疾病和状况的方法。
• SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS
  申请人：SHILPA MEDICARE LIMITED

  公开号：US20170320872A1

  公开（公告）日：2017-11-09

  The present invention relates to a process for the preparation substantially pure propane-1-sulfonicacid-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide or Vemurafenib of Formula (I). The present invention further relates to a process for the preparation substantially pure propane-1-sulfonic acid-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide trifluoro methane sulfonic acid salt or Vemurafenib triflate of Formula (VII)

  本发明涉及一种制备几乎纯的丙烷-1-磺酸-3-[5-(4-氯苯基)-1H-吡咯并[2,3-b]吡啶-3-羰基]-2,4-二氟苯基}-酰胺或公式(I)的维姆非尼的过程。本发明还涉及一种制备几乎纯的丙烷-1-磺酸-3-[5-(4-氯苯基)-1H-吡咯并[2,3-b]吡啶-3-羰基]-2,4-二氟苯基}-酰胺三氟甲磺酸盐或公式(VII)的维姆非尼三氟甲磺酸盐的过程。
• Substantially pure vemurafenib and its salts
  申请人：SHILPA MEDICARE LIMITED

  公开号：US10414764B2

  公开（公告）日：2019-09-17

  The present invention relates to a process for the preparation substantially pure propane-1-sulfonicacid-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide or Vemurafenib of Formula (I). The present invention further relates to a process for the preparation substantially pure propane-1-sulfonic acid-3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluoro-phenyl}-amide trifluoro methane sulfonic acid salt or Vemurafenib triflate of Formula (VII)

  本发明涉及一种制备基本纯的丙烷-1-磺酸-3-[5-(4-氯苯基)-1H-吡咯并[2,3-b]吡啶-3-羰基]-2,4-二氟苯基}-酰胺或式（I）的维莫非尼的工艺。 本发明还涉及一种制备基本纯的丙烷-1-磺酸-3-[5-(4-氯苯基)-1H-吡咯并[2,3-b]吡啶-3-羰基]-2,4-二氟苯基}-酰胺三氟甲烷磺酸盐或式(VII)的维莫非尼三酯的工艺。
• PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS
  申请人：PLEXXIKON, INC.

  公开号：EP1893612B1

  公开（公告）日：2011-08-03
• SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS
  申请人：Plexxikon, Inc.

  公开号：EP2427433A1

  公开（公告）日：2012-03-14