4-amino-6-[[(1S)-1-[8-fluoro-2-(2-methylsulfonylphenyl)quinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;(E)-N-(2-fluorophenyl)-3-phenylprop-2-enamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-amino-6-[[(1S)-1-[8-fluoro-2-(2-methylsulfonylphenyl)quinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;(E)-N-(2-fluorophenyl)-3-phenylprop-2-enamide
• 化学式: C38H31F2N7O3S
• 分子量: 703.8
• InChiKey: DQCAQHWXFSYJGB-WBUUUNPTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.34
• 重原子数：
  51
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  172
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• HETEROCYCLIC COMPOUNDS AND THEIR USES
  申请人：Amgen Inc.

  公开号：US20140206694A1

  公开（公告）日：2014-07-24

  Substituted bicyclic heteroaryls and compositions containing them, for the treatment of general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, including but not restricted to autoimmune diseases such as systemic lupus erythematosis (SLE), myestenia gravis, rheumatoid arthritis, acute disseminated encephalomyelitis, idiopathic thrombocytopenic purpura, multiples sclerosis, Sjoegren's syndrome and autoimmune hemolytic anemia, allergic conditions including all forms of hypersensitivity, The present invention also enables methods for treating cancers that are mediated, dependent on or associated with p110δ activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelo-dysplastic syndrome (MDS) myelo-proliferative diseases (MPD) Chronic Myeloid Leukemia (CML) T-cell Acute Lymphoblastic leukaemia (T-ALL) B-cell Acute Lymphoblastic leukaemia (B-ALL) Non Hodgkins Lymphoma (NHL) B-cell lymphoma and solid tumors, such as breast cancer.

  含有替代双环杂芳基的化合物及其组合物，用于治疗一般性炎症、关节炎、风湿性疾病、骨关节炎、炎性肠病、炎性眼部疾病、炎性或不稳定膀胱疾病、牛皮癣、带有炎症成分的皮肤疾病、慢性炎症病症，包括但不限于自身免疫性疾病，如系统性红斑狼疮（SLE）、重症肌无力、类风湿性关节炎、急性播散性脑脊髓炎、特发性血小板减少性紫癜、多发性硬化症、Sjogren综合症和自身免疫性溶血性贫血；包括所有过敏症的过敏反应。本发明还提供了治疗介导、依赖或与p110δ活性相关的癌症方法，包括但不限于白血病，如急性髓系白血病（AML）、骨髓增生异常综合征（MDS）、骨髓增生性疾病（MPD）、慢性髓性白血病（CML）、T细胞急性淋巴细胞白血病（T-ALL）、B细胞急性淋巴细胞白血病（B-ALL）、非霍奇金淋巴瘤（NHL）、B细胞淋巴瘤和实体肿瘤，如乳腺癌。
• US8835432B2
  申请人：——

  公开号：US8835432B2

  公开（公告）日：2014-09-16