propane-1-sulfonic acid {2,4-difluoro-3-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-phenyl}-amide | 1254565-82-6

• 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-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-phenyl}-amide
• 英文别名: Propane-1-sulfonic acid{2,4-difluoro-3-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-phenyl}-amide；N-[2,4-difluoro-3-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide
• CAS: 1254565-82-6
• 化学式: C₂₀H₁₇F₂N₅O₃S
• 分子量: 445.449
• InChiKey: MPBADXYYEQZJGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  129
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  propane-1-sulfonic acid {2,4-difluoro-3-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-phenyl}-amide 、 氯甲酸苯酯 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 4-{3-[2,6-difluoro-3-(propane-1-sulfonylamino)-benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-pyrazole-1-carboxylic acid phenyl ester
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  [FR] COMPOSÉS ET MÉTHODES POUR LA MODULATION DES KINASES, ET LEURS INDICATIONS

  摘要：

  公开号：

  WO2011079133A3

文献信息

• [EN] SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS<br/>[FR] FORMES SOLIDES DE SULFONAMIDES ET D'ACIDES AMINÉS
  申请人：PLEXXIKON INC

  公开号：WO2010129570A1

  公开（公告）日：2010-11-11

  Solid forms of phenyl sulfonamide compounds of formula (I) active on protein kinases, including Raf protein kinases, are described, as well as methods of using such solid forms to treat diseases and conditions associated with activity of protein kinases, e.g. Raf protein kinases, including pain, polycystic kidney disease, melanoma and colorectal cancer.

  本文描述了公式（I）的苯基磺酰胺化合物的固体形式，其在蛋白激酶中具有活性，包括Raf蛋白激酶，以及使用这些固体形式治疗与蛋白激酶活性相关的疾病和病况的方法，例如疼痛、多囊肾病、黑色素瘤和结直肠癌。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Ibrahim Prabha N.

  公开号：US20120245174A1

  公开（公告）日：2012-09-27

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, and forms thereof are active on each of BRaf and c-Raf-1 protein kinase, and may also be active on either or both of A-Raf and B-Raf V600E protein kinase. Also described are methods of use thereof to treat diseases and conditions, including melanoma, colorectal cancer, thyroid cancer, ovarian cancer, and biliary tract cancer.

  本文描述了化合物及其盐，制剂，共轭物，衍生物，形式和用途。在某些方面和实施例中，所述化合物或其盐，制剂，共轭物，衍生物和形式对BRaf和c-Raf-1蛋白激酶均具有活性，并且可能对A-Raf和B-Raf V600E蛋白激酶中的任一或两者也具有活性。还描述了使用它们治疗疾病和病症的方法，包括黑色素瘤，结肠直肠癌，甲状腺癌，卵巢癌和胆道癌。
• Compounds and Methods for Kinase Modulation, and Indications Therefor
  申请人：Ibrahim Prabha N.

  公开号：US20100286142A1

  公开（公告）日：2010-11-11

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, and forms thereof are active on each of BRaf and c-Raf-1 protein kinase, and may also be active on either or both of A-Raf and B-Raf V600E protein kinase. Also described are methods of use thereof to treat diseases and conditions, including melanoma, colorectal cancer, thyroid cancer, ovarian cancer, and biliary tract cancer.

  本文描述了化合物及其盐、配方、共轭物、衍生物、形式和用途。在某些方面和实施例中，所述化合物或其盐、配方、共轭物、衍生物和形式对BRaf和c-Raf-1蛋白激酶都具有活性，并且还可能对A-Raf和B-Raf V600E蛋白激酶中的任何一个或两个都具有活性。还描述了使用它们治疗疾病和病况的方法，包括黑色素瘤、结肠直肠癌、甲状腺癌、卵巢癌和胆道癌。
• Compounds and methods for kinase modulation, and indications therefor
  申请人：PLEXXIKON INC.

  公开号：US09440969B2

  公开（公告）日：2016-09-13

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof are active on each of B-Raf, B-Raf V600E and c-Raf-1 protein kinase. In certain aspects and embodiments, the described compounds are active in inhibiting proliferation of a Ras mutant cell line. Also described are methods of use thereof to treat diseases and conditions, including melanoma, glioma, glioblastoma, pilocytic astrocytoma, liver cancer, biliary tract cancer, cholangiocarcinoma, colorectal cancer, lung cancer, bladder cancer, gallbladder cancer, breast cancer, pancreatic cancer, thyroid cancer, kidney cancer, ovarian cancer, adrenocortical cancer, prostate cancer, gastrointestinal stromal tumors, medullary thyroid cancer, tumor angiogenesis, acute myeloid leukemia, chronic myelomonocytic leukemia, childhood acute lymphoblastic leukemia, plasma cell leukemia, and multiple myeloma.

  本文描述了化合物及其盐，配方，共轭物，衍生物，形式和用途。在某些方面和实施例中，所述化合物或其盐，配方，共轭物，衍生物，形式对B-Raf，B-Raf V600E和c-Raf-1蛋白激酶都具有活性。在某些方面和实施例中，所述化合物具有抑制Ras突变细胞系增殖的活性。还描述了使用这些方法治疗疾病和病况，包括黑色素瘤，胶质瘤，胶质母细胞瘤，毛细胞星形细胞瘤，肝癌，胆道癌，胆管癌，结直肠癌，肺癌，膀胱癌，胆囊癌，乳腺癌，胰腺癌，甲状腺癌，肾癌，卵巢癌，肾上腺皮质癌，前列腺癌，胃肠间质瘤，髓样甲状腺癌，肿瘤血管生成，急性髓性白血病，慢性髓细胞白血病，儿童急性淋巴细胞性白血病，浆细胞白血病和多发性骨髓瘤的方法。
• SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS
  申请人：Plexxikon, Inc.

  公开号：EP2427433A1

  公开（公告）日：2012-03-14