2-(3-(2-(4-(4-Methylpiperazin-1-yl)phenylamino)pyrimidin-4-ylamino)phenyl)acetonitrile | 1050499-88-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(3-(2-(4-(4-Methylpiperazin-1-yl)phenylamino)pyrimidin-4-ylamino)phenyl)acetonitrile
• 英文别名: 2-[3-[[2-[4-(4-Methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]acetonitrile
• CAS: 1050499-88-1
• 化学式: C₂₃H₂₅N₇
• 分子量: 399.498
• InChiKey: BGIFGAUKHGERCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  80.1
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(3-(2-Chloropyrimidin-4-ylamino)phenyl)acetonitrile 在 sodium hydroxide 、 三乙醇胺 作用下， 以 甲醇 、 异丙醇 为溶剂， 生成 2-(3-(2-(4-(4-Methylpiperazin-1-yl)phenylamino)pyrimidin-4-ylamino)phenyl)acetonitrile
  参考文献：
  名称：

  Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use

  摘要：

  一种治疗或预防卡斯尔曼病、动脉粥样硬化、冠状动脉疾病、周围水肿、周围血管疾病、青光眼、湿性或干性老年性黄斑变性（AMD）、哮喘；慢性支气管炎；慢性阻塞性肺病；成人呼吸窘迫综合征；婴儿呼吸窘迫综合征；咳嗽；动物的慢性阻塞性肺病；成人呼吸窘迫综合征；溃疡性结肠炎；克罗恩病；胃酸过分分泌；细菌、真菌或病毒诱导的败血症或感染性休克；内毒素性休克；马的蹄叶炎或肠绞痛；脊髓创伤；头部损伤；神经源性炎症；疼痛；脑再灌注损伤；银屑病性关节炎；类风湿性关节炎；强直性脊柱炎；骨关节炎；炎症；或细胞因子介导的慢性组织退化的治疗方法包括给予具有以下结构（I）的化合物的治疗有效量或预防有效量。

  公开号：

  US20100029675A1

文献信息

• PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS
  申请人：Vankayalapati Hariprasad

  公开号：US20080214558A1

  公开（公告）日：2008-09-04

  Pyrimidine-2,4-diamines derivatives having activity as JAK2 kinase inhibitors are disclosed, as well as pharmaceutical compositions and methods for using the same in the treatment of cancer and other JAK2 kinase-associated conditions.

  翻译结果为：披露了具有JAK2激酶抑制活性的嘧啶-2,4-二胺衍生物，以及用于治疗癌症和其他与JAK2激酶相关的条件的药物组合物和方法。
• [EN] PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIMIDINE-2,4-DIAMINE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA KINASE JAK2
  申请人：SUPERGEN INC

  公开号：WO2008106635A1

  公开（公告）日：2008-09-04

  [EN] Pyrimidine-2,4-diamines derivatives having activity as JAK2 kinase inhibitors are disclosed, as well as pharmaceutical compositions and methods for using the same in the treatment of cancer and other JAK2 kinase-associated conditions.
  [FR] La présente invention concerne des dérivés de pyrimidine-2,4-diamine possédant une activité en tant qu'inhibiteurs de la kinase Jak2, ainsi que des compositions pharmaceutiques et des procédés pour les utiliser dans le traitement d'un cancer et d'autres affections associées à la kinase Jak2.
• [EN] PYRIMIDINE-2,4-DIAMINE JAK2 KINASE INHIBITING ANTI-INFLAMMATION USE<br/>[FR] UTILISATION ANTI-INFLAMMATION DE L'INHIBITEUR DE LA PYRIMIDINE-2,4-DIAMINE KINASE JAK2
  申请人：SUPERGEN INC

  公开号：WO2010011349A2

  公开（公告）日：2010-01-28

  A method of treatment or prevention of Castleman's disease, atherosclerosis, coronary artery disease, peripheral edema, peripheral vascular disease, glaucoma, and wet or dry age-related macular degeneration (AMD), asthma; chronic bronchitis; chronic obstructive pulmonary disease; adult respiratory distress syndrome; infant respiratory distress syndrome; cough; chronic obstructive pulmonary disease in animals; adult respiratory distress syndrome; ulcerative colitis; Crohn's disease; hypersecretion of gastric acid; bacterial, fungal, or viral induced sepsis or septic shock; endotoxic shock; laminitis or colic in horses; spinal cord trauma; head injury; neurogenic inflammation; pain; reperfusion injury of the brain; psoriatic arthritis; rheumatoid arthritis; alkylosing spondylitis; osteoarthritis; inflammation; or cytokine-mediated chronic tissue degeneration comprises the step of administering a therapeutically effective amount, or a prophylactically effective amount, of a compound having the structure (I).
• Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use
  申请人：Hwang Soo-In

  公开号：US20100029675A1

  公开（公告）日：2010-02-04

  A method of treatment or prevention of Castleman's disease, atherosclerosis, coronary artery disease, peripheral edema, peripheral vascular disease, glaucoma, and wet or dry age-related macular degeneration (AMD), asthma; chronic bronchitis; chronic obstructive pulmonary disease; adult respiratory distress syndrome; infant respiratory distress syndrome; cough; chronic obstructive pulmonary disease in animals; adult respiratory distress syndrome; ulcerative colitis; Crohn's disease; hypersecretion of gastric acid; bacterial, fungal, or viral induced sepsis or septic shock; endotoxic shock; laminitis or colic in horses; spinal cord trauma; head injury; neurogenic inflammation; pain; reperfusion injury of the brain; psoriatic arthritis; rheumatoid arthritis; alkylosing spondylitis; osteoarthritis; inflammation; or cytokine-mediated chronic tissue degeneration comprises the step of administering a therapeutically effective amount, or a prophylactically effective amount, of a compound having the following structure (I):

  一种治疗或预防卡斯尔曼病、动脉粥样硬化、冠状动脉疾病、周围水肿、周围血管疾病、青光眼、湿性或干性老年性黄斑变性（AMD）、哮喘；慢性支气管炎；慢性阻塞性肺病；成人呼吸窘迫综合征；婴儿呼吸窘迫综合征；咳嗽；动物的慢性阻塞性肺病；成人呼吸窘迫综合征；溃疡性结肠炎；克罗恩病；胃酸过分分泌；细菌、真菌或病毒诱导的败血症或感染性休克；内毒素性休克；马的蹄叶炎或肠绞痛；脊髓创伤；头部损伤；神经源性炎症；疼痛；脑再灌注损伤；银屑病性关节炎；类风湿性关节炎；强直性脊柱炎；骨关节炎；炎症；或细胞因子介导的慢性组织退化的治疗方法包括给予具有以下结构（I）的化合物的治疗有效量或预防有效量。