5-Chloro-2-chloromethyl-3-o-tolyl-3H-quinazolin-4-one | 69123-66-6

• 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: 5-Chloro-2-chloromethyl-3-o-tolyl-3H-quinazolin-4-one
• 英文别名: 5-chloro-2-chloromethyl-3-o-tolyl-3H-quinazolin-4-one；5-chloro-2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4-one
• CAS: 69123-66-6
• 化学式: C₁₆H₁₂Cl₂N₂O
• 分子量: 319.19
• InChiKey: KKPWLCWHIUUBIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Chloro-2-chloromethyl-3-o-tolyl-3H-quinazolin-4-one 以60%的产率得到
  参考文献：
  名称：

  TANI JUNICHI; YAMADA YOSHIHISA; OINE TOYONARI; OCHIAI TAKASHI; ISHIDA RYU+, J. MED. CHEM., 1979, 22, NO 1, 95-99

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Amino-6-chloro-N-o-tolylbenzamide 、 氯乙酰氯 在 二氯甲烷 、 异丙醇 作用下， 以 溶剂黄146 为溶剂， 以to afford 340 mg of a white solid (37%)的产率得到5-Chloro-2-chloromethyl-3-o-tolyl-3H-quinazolin-4-one
  参考文献：
  名称：

  Inhibitors of human phosphatidylinositol 3-kinase delta

  摘要：

  本发明揭示了抑制磷脂酰肌醇3-激酶δ异构体（PI3Kδ）活性的方法，以及用于治疗免疫和炎症等疾病的方法，其中PI3Kδ在白细胞功能中发挥作用。优选地，该方法使用有选择地抑制PI3Kδ的活性的活性剂，而不显著抑制其他PI3K异构体的活性。提供了抑制PI3Kδ活性的化合物，包括选择性抑制PI3Kδ活性的化合物。还提供了使用PI3Kδ抑制剂化合物抑制癌细胞生长或增殖的方法。因此，本发明提供了使用PI3Kδ抑制剂化合物在体外和体内抑制PI3Kδ介导的过程的方法。

  公开号：

  US20030195211A1

文献信息

• [EN] INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA<br/>[FR] INHIBITEURS DE PHOSPHATIDYL-INOSITOL 3-KINASE DELTA
  申请人：ICOS CORP

  公开号：WO2003035075A1

  公开（公告）日：2003-05-01

  Methods of inhibiting phosphatidylinositol 3-kinase delta isoform (PI3Kδ) activity, and methods of treating diseases, such as disorders of immunity and inflammation, in which PI3Kδ plays a role in leukocyte function with compounds of formula (1) are disclosed. Preferably, the methods employ active agents that selectively inhibit PI3Kδ, while not significantly inhibiting activity of other PI3K isoforms. Compounds of formula (1) are provided that inhibit PI3Kδ activity, including compounds that selectively inhibit PI3Kδ activity. Methods of using PI3Kδ inhibitory compounds to inhibit cancer cell growth or proliferation are also provided. Accordingly, the invention provides methods of using PI3Kδ inhibitory compounds to inhibit PI3Kδ-mediated processes in vitro and in vivo. Wherein R1-R3, X, Y and A are defined herein.

  本发明公开了抑制磷脂酰肌醇3-激酶δ亚型（PI3Kδ）活性的方法，以及使用式（1）化合物治疗疾病的方法，例如免疫和炎症障碍，其中PI3Kδ在白细胞功能中发挥作用。优选地，该方法采用有选择性地抑制PI3Kδ的活性的活性剂，同时不显著抑制其他PI3K亚型的活性。提供了抑制PI3Kδ活性的式（1）化合物，包括有选择性地抑制PI3Kδ活性的化合物。还提供了使用PI3Kδ抑制剂化合物抑制癌细胞生长或增殖的方法。因此，本发明提供了使用PI3Kδ抑制剂化合物在体外和体内抑制PI3Kδ介导的过程的方法。其中R1-R3，X，Y和A在此定义。
• Inhibitors of human phosphatidyl-inositol 3-kinase delta
  申请人：——

  公开号：US20040266780A1

  公开（公告）日：2004-12-30

  Methods of inhibiting phosphatidylinositol 3-kinase delta isoform (PI3K&dgr;) activity, and methods of treating diseases, such as disorders of immunity and inflammation, in which PI3K&dgr; plays a role in leukocyte function are disclosed. Preferably, the methods employ active agents that selectively inhibit PI3K&dgr;, while not significantly inhibiting activity of other PI3K isoforms. Compounds are provided that inhibit PI3K&dgr; activity, including compounds that selectively inhibit PI3K&dgr; activity. Methods of using PI3K&dgr; inhibitory compounds to inhibit cancer cell growth or proliferation are also provided. Accordingly, the invention provides methods of using PI3K&dgr; inhibitory compounds to inhibit PI3K&dgr;-mediated processes in vitro and in vivo.

  本发明揭示了抑制磷脂酰肌醇3-激酶δ亚型（PI3Kδ）活性的方法，以及治疗免疫和炎症等PI3Kδ在白细胞功能中发挥作用的疾病的方法。优选地，这些方法采用能够选择性抑制PI3Kδ的活性剂，而不显著抑制其他PI3K亚型的活性。提供了抑制PI3Kδ活性的化合物，包括选择性抑制PI3Kδ活性的化合物。还提供了使用PI3Kδ抑制剂化合物抑制癌细胞生长或增殖的方法。因此，本发明提供了使用PI3Kδ抑制剂化合物在体外和体内抑制PI3Kδ介导的过程的方法。
• 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。
• INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA
  申请人：Sadhu Chanchal

  公开号：US20120172591A1

  公开（公告）日：2012-07-05

  Methods of inhibiting phosphatidylinositol 3-kinase delta isoform (PI3Kδ) activity, and methods of treating diseases, such as disorders of immunity and inflammation, in which PI3Kδ plays a role in leukocyte function are disclosed. Preferably, the methods employ active agents that selectively inhibit PI3Kδ, while not significantly inhibiting activity of other PI3K isoforms. Compounds are provided that inhibit PI3Kδ activity, including compounds that selectively inhibit PI3Kδ activity. Methods of using PI3Kδ inhibitory compounds to inhibit cancer cell growth or proliferation are also provided. Accordingly, the invention provides methods of using PI3Kδ inhibitory compounds to inhibit PI3Kδ-mediated processes in vitro and in vivo.

  本发明揭示了抑制磷脂酰肌醇3-激酶δ亚型（PI3Kδ）活性的方法，以及治疗免疫和炎症等疾病的方法，其中PI3Kδ在白细胞功能中发挥作用。优选地，这些方法采用能够选择性地抑制PI3Kδ而不显著抑制其他PI3K亚型活性的活性剂。提供了抑制PI3Kδ活性的化合物，包括选择性抑制PI3Kδ活性的化合物。还提供了使用PI3Kδ抑制剂化合物抑制癌细胞生长或增殖的方法。因此，本发明提供了使用PI3Kδ抑制剂化合物在体外和体内抑制PI3Kδ介导的过程的方法。
• INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA
  申请人：SADHU Chanchal

  公开号：US20100152211A1

  公开（公告）日：2010-06-17

  Methods of inhibiting phosphatidylinositol 3-kinase delta isoform (PI3Kδ) activity, and methods of treating diseases, such as disorders of immunity and inflammation, in which PI3Kδ plays a role in leukocyte function are disclosed. Preferably, the methods employ active agents that selectively inhibit PI3Kδ, while not significantly inhibiting activity of other PI3K isoforms. Compounds are provided that inhibit PI3Kδ activity, including compounds that selectively inhibit PI3Kδ activity. Methods of using PI3Kδ inhibitory compounds to inhibit cancer cell growth or proliferation are also provided. Accordingly, the invention provides methods of using PI3Kδ inhibitory compounds to inhibit PI3Kδ-mediated processes in vitro and in vivo.

  本文公开了抑制磷脂酰肌醇3-激酶δ亚型（PI3Kδ）活性的方法，以及治疗免疫和炎症等疾病的方法，其中PI3Kδ在白细胞功能中发挥作用。最好的方法是使用能够选择性抑制PI3Kδ的活性剂，同时不显著抑制其他PI3K亚型的活性。提供了抑制PI3Kδ活性的化合物，包括选择性抑制PI3Kδ活性的化合物。还提供了使用PI3Kδ抑制剂化合物抑制癌细胞生长或增殖的方法。因此，本发明提供了使用PI3Kδ抑制剂化合物在体外和体内抑制PI3Kδ介导的过程的方法。