N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-trifluoromethyl-benzenesulfonamide | 1195070-42-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-trifluoromethyl-benzenesulfonamide
• 英文别名: N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
• CAS: 1195070-42-8
• 化学式: C₂₀H₁₁F₅N₄O₃S
• 分子量: 482.39
• InChiKey: PZOQSUYOGAZBNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  N-2,4-difluoro-3-[hydroxy-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)-methyl]-phenyl-4-trifluoromethyl-benzenesulfonamide 在 戴斯-马丁氧化剂 、 碳酸氢钠 、 sodium thiosulfate 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 反应 0.5h， 生成 N-[2,4-difluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-trifluoromethyl-benzenesulfonamide
  参考文献：
  名称：

  COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR

  摘要：

  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、形式对至少一种Raf蛋白激酶具有活性。还描述了利用这些方法来治疗疾病和症状，包括与Raf蛋白激酶活性相关的疾病和症状，如黑色素瘤、结直肠癌、甲状腺癌、卵巢癌、胆管癌、疼痛或多囊肾病。

  公开号：

  US20090286783A1

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。
• SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS
  申请人：Visor Gary Conard

  公开号：US20120122860A1

  公开（公告）日：2012-05-17

  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态形式，这些化合物对蛋白激酶具有活性，包括Raf蛋白激酶，并描述了使用这些固态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，黑色素瘤和结肠直肠癌。
• US8153641B2
  申请人：——

  公开号：US8153641B2

  公开（公告）日：2012-04-10
• [EN] COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR<br/>[FR] COMPOSÉS ET PROCÉDÉS DE MODULATION DES KINASES, ET INDICATIONS ASSOCIÉES
  申请人：PLEXXIKON INC

  公开号：WO2009143024A2

  公开（公告）日：2009-11-26

  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 at least one Raf protein kinase. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of Raf protein kinases, including melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease.
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Ibrahim Prabha N.

  公开号：US20090286783A1

  公开（公告）日：2009-11-19

  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 at least one Raf protein kinase. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of Raf protein kinases, including melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease.

  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、形式对至少一种Raf蛋白激酶具有活性。还描述了利用这些方法来治疗疾病和症状，包括与Raf蛋白激酶活性相关的疾病和症状，如黑色素瘤、结直肠癌、甲状腺癌、卵巢癌、胆管癌、疼痛或多囊肾病。