1-((3-(2-chlorophenyl)-8-methylquinoxalin-2-yl)methyl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine | 1064135-98-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-((3-(2-chlorophenyl)-8-methylquinoxalin-2-yl)methyl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• 英文别名: 1-[[3-(2-chlorophenyl)-8-methylquinoxalin-2-yl]methyl]-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
• CAS: 1064135-98-3
• 化学式: C₂₁H₁₅ClIN₇
• 分子量: 527.755
• InChiKey: AFRMMQJHRRBRLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  95.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-((3-(2-chlorophenyl)-8-methylquinoxalin-2-yl)methyl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine 、 氰化亚铜 在 吡啶 作用下， 反应 8.0h， 生成 4-amino-1-((3-(2-chlorophenyl)-8-methylquinoxalin-2-yl)methyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
  参考文献：
  名称：

  WO2008/118454

  摘要：

  公开号：
• 作为产物：
  描述：

  3-(bromomethyl)-2-(2-chlorophenyl)-5-methylquinoxaline 、 3-碘-4-氨基吡唑并[3,4-d]嘧啶 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.17h， 生成 1-((3-(2-chlorophenyl)-8-methylquinoxalin-2-yl)methyl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  参考文献：
  名称：

  WO2008/118454

  摘要：

  公开号：

文献信息

• Heterocyclic compounds and their uses
  申请人：Chen Yi

  公开号：US20090030002A1

  公开（公告）日：2009-01-29

  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 p110δ activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelodysplastic 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、炎性肠病、炎性眼部疾病、炎性或不稳定膀胱疾病、牛皮癣、具有炎症成分的皮肤问题、慢性炎症状况，包括但不限于自身免疫疾病，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，包括所有过敏形式的过敏症。本发明还提供了治疗与p110δ活性有关、依赖于或与之相关的癌症的方法，包括但不限于白血病，如急性髓细胞白血病（AML）、骨髓增生异常综合症（MDS）、骨髓增生性疾病（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细胞淋巴瘤和固体肿瘤，如乳腺癌。
• HETEROCYCLIC COMPOUNDS AND THEIR USES
  申请人：Chen Yi

  公开号：US20110152277A1

  公开（公告）日：2011-06-23

  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.

  含有替代双环杂环芳基的化合物和组合物，用于治疗一般炎症、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、具有炎症成分的皮肤病、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、Sjoegren综合征和自身免疫性溶血性贫血；过敏症，包括所有类型的超敏反应。本发明还提供了用于治疗与p110δ活性有关、依赖或相关的癌症的方法，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细胞淋巴瘤和实体肿瘤，如乳腺癌。
• Substituted pyrazolo[3,4-d]pyrimidines as PI3K inhibitors
  申请人：Amgen Inc.

  公开号：US07919498B2

  公开（公告）日：2011-04-05

  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 leukemia (AML) Myelodysplastic 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、炎症性肠病、炎症性眼疾、炎症性或不稳定膀胱疾病、牛皮癣、带有炎症成分的皮肤疾病、包括但不限于自身免疫性疾病，如系统性红斑狼疮、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，包括所有过敏形式的过敏症。本发明还提供了一种治疗与p110δ活性有关、依赖于或相关的癌症的方法，包括但不限于白血病，如急性髓性白血病（AML）、骨髓增生异常综合症（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，例如乳腺癌。
• US7919498B2
  申请人：——

  公开号：US7919498B2

  公开（公告）日：2011-04-05
• [EN] HETEROCYCLIC COMPOUNDS AND THEIR USES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：AMGEN INC

  公开号：WO2008118454A2

  公开（公告）日：2008-10-02

  [EN] 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.
  [FR] L'invention concerne des hétéroaryles bicycliques substitués et des compositions les renfermant, destinés à traiter les inflammations générales, l'arthrite, les maladies rhumatismales, l'arthrose, les troubles entériques inflammatoires, les troubles oculaires inflammatoires, les troubles inflammatoires ou instables de la vessie, le psoriasis, les affections cutanées à composantes inflammatoires, les maladies inflammatoires chroniques, notamment mais non exclusivement les maladies auto-immunes telles que le lupus érythémateux systémique (SLE), myestenia gravis, l'arthrite rhumatoïde, l'encéphalomyélite aiguë disséminée, le purpura thrombocytopénique idiopathique, la sclérose en plaque, syndrome de Sjoegren et l'anémie hémolytique auto-immune, les affections allergiques comprenant toutes formes d'hypersensibilité. L'invention concerne également des méthodes de traitement des cancers qui sont médiés par, dépendants de ou associés à l'activité p110, y compris mais non seulement les leucémies, telles que la leucémie myéloïde aiguë (AML), le syndrome myélo-dysplastique (MDS), les maladies myélo-prolifératives (MPD), la leucémie myéloïde chronique (CML), la leucémie lymphoblastique aiguë à lymphocytes T (T-ALL), la leucémie lymphoblastique aiguë à lymphocytes B (B-ALL), le lymphome non Hodgkinien (NHL), le lymphome à lymphocytes B et les tumeurs solides, telles que le cancer du sein.