5-methyl-2,3-dihydro-isoxazole-3-carbonyl chloride | 1312942-23-6

• 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
• 英文名称: 5-methyl-2,3-dihydro-isoxazole-3-carbonyl chloride
• 英文别名: 5-methyl-2,3-dihydro-1,2-oxazole-3-carbonyl chloride
• CAS: 1312942-23-6
• 化学式: C₅H₆ClNO₂
• 分子量: 147.561
• InChiKey: KGMAIHZBYBXTJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-methyl-2,3-dihydro-isoxazole-3-carbonyl chloride 、 propane-1-sulfonic acid [3-(5-amino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluoro-phenyl]-amide 在 吡啶 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 5-methyl-2,3-dihydro-isoxazole-3-carboxylic acid {3-[2,6-difluoro-3-(propane-1-sulfonylamino)-benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-amide
  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

• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Ibrahim Prabha N.

  公开号：US20110183988A1

  公开（公告）日：2011-07-28

  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.

  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，所述的化合物或其盐、制剂、共轭物、衍生物、形式对B-Raf、B-Raf V600E和c-Raf-1蛋白激酶均具有活性。在某些方面和实施例中，所述的化合物在抑制Ras突变细胞系增殖方面具有活性。还描述了使用它们治疗疾病和病况的方法，包括黑色素瘤、胶质瘤、胶质母细胞瘤、毛细胞星形细胞瘤、肝癌、胆管癌、胆管细胞癌、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、胃肠道间质瘤、髓样甲状腺癌、肿瘤血管生成、急性髓系白血病、慢性髓细胞/单核细胞白血病、儿童急性淋巴细胞白血病、浆细胞白血病和多发性骨髓瘤。
• 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。
• US9440969B2
  申请人：——

  公开号：US9440969B2

  公开（公告）日：2016-09-13
• [EN] COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR<br/>[FR] COMPOSÉS ET MÉTHODES POUR LA MODULATION DES KINASES, ET LEURS INDICATIONS
  申请人：PLEXXIKON INC

  公开号：WO2011079133A3

  公开（公告）日：2011-11-17