4-acetyl-3,4-dihydro-2H-1,4-benzothiazin-6-amine 1,1-dioxide | 1259513-59-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 4-acetyl-3,4-dihydro-2H-1,4-benzothiazin-6-amine 1,1-dioxide
• 英文别名: 1-(6-amino-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)ethanone
• CAS: 1259513-59-1
• 化学式: C₁₀H₁₂N₂O₃S
• 分子量: 240.283
• InChiKey: HYWYVJUDGHYKMQ-UHFFFAOYSA-N

物化性质

• 沸点：
  626.2±55.0 °C(Predicted)
• 密度：
  1.435±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  88.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2'-二溴二乙醚 、 4-acetyl-3,4-dihydro-2H-1,4-benzothiazin-6-amine 1,1-dioxide 在 sodium carbonate 作用下， 以 甲醇 为溶剂， 反应 1.5h， 生成 4-acetyl-6-morpholin-4-yl-3,4-dihydro-2H-1,4-benzothiazine 1,1-dioxide
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3 K ACTIVITY
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2010151737A3
• 作为产物：
  描述：

  4-acetyl-6-nitro-3,4-dihydro-2H-1,4-benzothiazine 1,1-dioxide 在 tin(II) chloride dihdyrate 作用下， 以 乙酸乙酯 为溶剂， 反应 1.5h， 生成 4-acetyl-3,4-dihydro-2H-1,4-benzothiazin-6-amine 1,1-dioxide
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3 K ACTIVITY
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2010151737A3

文献信息

• HETEROCYCLIC COMPOUNDS AND THEIR USES
  申请人：Brown Matthew

  公开号：US20120094972A1

  公开（公告）日：2012-04-19

  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 p110 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、炎性肠道疾病、炎性眼部疾病、炎性或不稳定的膀胱疾病、牛皮癣、具有炎症成分的皮肤病、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综合征和自身免疫性溶血性贫血，包括所有过敏症形式的过敏症，本发明还提供了治疗介导、依赖或与p110活性相关的癌症的方法，包括但不限于白血病，如急性髓细胞白血病（AML）、骨髓增生异常综合征（MDS）、骨髓增殖性疾病（MPD）、慢性髓细胞白血病（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细胞淋巴瘤和实体瘤，如乳腺癌。
• Heterocyclic compounds and their uses
  申请人：Brown Matthew

  公开号：US08765940B2

  公开（公告）日：2014-07-01

  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 p110 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.

  含有替代双环杂环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、炎症性肠病、炎症性眼疾、炎症性或不稳定的膀胱疾病、牛皮癣、含有炎症成分的皮肤疾病、慢性炎症性疾病，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，包括所有形式的过敏反应。本发明还提供了用于治疗介导、依赖或与p110活性相关的癌症的方法，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细胞淋巴瘤和实体瘤，如乳腺癌。
• HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY
  申请人：Amgen, Inc

  公开号：EP2445902A2

  公开（公告）日：2012-05-02
• US8765940B2
  申请人：——

  公开号：US8765940B2

  公开（公告）日：2014-07-01
• [EN] HETEROCYCLIC COMPOUNDS AND THEIR USES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：AMGEN INC

  公开号：WO2010151737A2

  公开（公告）日：2010-12-29

  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 p110 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.